CID 16423013

Chembl4437244

Structural Information

Molecular Formula
C20H20N4O2
SMILES
CC1=C(C(=O)N2C3=CC=CC=C3NC2=C1C#N)CCC(=O)N4CCCC4
InChI
InChI=1S/C20H20N4O2/c1-13-14(8-9-18(25)23-10-4-5-11-23)20(26)24-17-7-3-2-6-16(17)22-19(24)15(13)12-21/h2-3,6-7,22H,4-5,8-11H2,1H3
InChIKey
AEVYTKKOGUOZJH-UHFFFAOYSA-N
Compound name
3-methyl-1-oxo-2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.15863 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.165906 185.7
[M+Na]+ 371.147848 197.1
[M-H]- 347.151354 187.5
[M+NH4]+ 366.192453 197.9
[M+K]+ 387.121788 187.2
[M+H-H2O]+ 331.155890 170.0
[M+HCOO]- 393.156831 198.3
[M+CH3COO]- 407.172481 193.6
[M+Na-2H]- 369.133296 183.8
[M]+ 348.15808142 181.1
[M]- 348.15917858 181.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.