Fce 24220 (C19H22N4O3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C19H22N4O3/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/h2-4,7,11,14,16,20H,5-6,8-10H2,1H3,(H,21,24,25)/t11-,14?,16+,23?/m0/s1

InChIKey

HTEWFCFFJOHVFC-PWOKGJIMSA-N

Compound name

1-[[(6aR,9S)-7-methyl-7-oxido-6,6a,8,9,10,10a-hexahydro-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]+	355.176476	183.8
[M+Na]+	377.158418	190.6
[M-H]-	353.161924	183.6
[M+NH4]+	372.203023	197.6
[M+K]+	393.132358	178.0
[M+H-H2O]+	337.166460	179.0
[M+HCOO]-	399.167401	191.2
[M+CH3COO]-	413.183051	200.8
[M+Na-2H]-	375.143866	185.5
[M]+	354.16865142	176.6
[M]-	354.16974858	176.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

355.176476

183.8

[M+Na]+

377.158418

190.6

[M-H]-

353.161924

183.6

[M+NH4]+

372.203023

197.6

[M+K]+

393.132358

178.0

[M+H-H2O]+

337.166460

179.0

[M+HCOO]-

399.167401

191.2

[M+CH3COO]-

413.183051

200.8

[M+Na-2H]-

375.143866

185.5

[M]+

354.16865142

176.6

[M]-

354.16974858

176.6

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

Fce 24220

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe