Fce 24378 (C19H20N4O2)

Structural Information

Molecular Formula

SMILES

CN1C[C@@H](C2=CC3=C4C(=CNC4=CC=C3)C[C@H]21)CN5CC(=O)NC5=O

InChI

InChI=1S/C19H20N4O2/c1-22-8-13(9-23-10-17(24)21-19(23)25)14-5-11-3-2-4-15-18(11)12(7-20-15)6-16(14)22/h2-5,7,13,16,20H,6,8-10H2,1H3,(H,21,24,25)/t13-,16-/m1/s1

InChIKey

STJDEMADQFGYKM-CZUORRHYSA-N

Compound name

1-[[(4R,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaen-4-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]+	337.165906	183.6
[M+Na]+	359.147848	192.9
[M-H]-	335.151354	188.2
[M+NH4]+	354.192453	198.9
[M+K]+	375.121788	187.8
[M+H-H2O]+	319.155890	175.3
[M+HCOO]-	381.156831	196.2
[M+CH3COO]-	395.172481	192.7
[M+Na-2H]-	357.133296	180.2
[M]+	336.15808142	180.6
[M]-	336.15917858	180.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

337.165906

183.6

[M+Na]+

359.147848

192.9

[M-H]-

335.151354

188.2

[M+NH4]+

354.192453

198.9

[M+K]+

375.121788

187.8

[M+H-H2O]+

319.155890

175.3

[M+HCOO]-

381.156831

196.2

[M+CH3COO]-

395.172481

192.7

[M+Na-2H]-

357.133296

180.2

[M]+

336.15808142

180.6

[M]-

336.15917858

180.6

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

Fce 24378

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe