PubChemLite - 1-((6-methyl-delta-9,10-ergolen-8-beta-yl)methyl)-2,4-imidazolidinedione n6-oxide (C19H20N4O3)

Structural Information

Molecular Formula

SMILES

C[N+]1(C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)CN5CC(=O)NC5=O)[O-]

InChI

InChI=1S/C19H20N4O3/c1-23(26)10-11(8-22-9-17(24)21-19(22)25)5-14-13-3-2-4-15-18(13)12(7-20-15)6-16(14)23/h2-5,7,11,16,20H,6,8-10H2,1H3,(H,21,24,25)/t11-,16+,23?/m0/s1

InChIKey

MTMCBEJFHTYAQU-AKGYEBPHSA-N

Compound name

1-[[(6aR,9S)-7-methyl-7-oxido-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-7-ium-9-yl]methyl]imidazolidine-2,4-dione

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	353.16081	182.5
[M+Na]+	375.14275	190.3
[M-H]-	351.14625	182.8
[M+NH4]+	370.18735	196.4
[M+K]+	391.11669	177.5
[M+H-H2O]+	335.15079	177.7
[M+HCOO]-	397.15173	191.4
[M+CH3COO]-	411.16738	200.4
[M+Na-2H]-	373.12820	185.2
[M]+	352.15298	176.7
[M]-	352.15408	176.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

353.16081

182.5

[M+Na]+

375.14275

190.3

[M-H]-

351.14625

182.8

[M+NH4]+

370.18735

196.4

[M+K]+

391.11669

177.5

[M+H-H2O]+

335.15079

177.7

[M+HCOO]-

397.15173

191.4

[M+CH3COO]-

411.16738

200.4

[M+Na-2H]-

373.12820

185.2

[M]+

352.15298

176.7

[M]-

352.15408

176.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1-((6-methyl-delta-9,10-ergolen-8-beta-yl)methyl)-2,4-imidazolidinedione n6-oxide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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