CID 3053105

6h-pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-(1-oxo-6-(1-pyrrolidinyl)hexyl)-

Structural Information

Molecular Formula
C22H26N4O2
SMILES
C1CCN(C1)CCCCCC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
InChI
InChI=1S/C22H26N4O2/c27-20(12-2-1-5-14-25-15-6-7-16-25)26-19-11-4-3-9-17(19)22(28)24-18-10-8-13-23-21(18)26/h3-4,8-11,13H,1-2,5-7,12,14-16H2,(H,24,28)
InChIKey
IANLHTRBUIYKTB-UHFFFAOYSA-N
Compound name
11-(6-pyrrolidin-1-ylhexanoyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.20557 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.21285 193.6
[M+Na]+ 401.19479 198.3
[M-H]- 377.19829 195.8
[M+NH4]+ 396.23939 202.2
[M+K]+ 417.16873 194.6
[M+H-H2O]+ 361.20283 182.0
[M+HCOO]- 423.20377 204.1
[M+CH3COO]- 437.21942 200.0
[M+Na-2H]- 399.18024 193.3
[M]+ 378.20502 188.6
[M]- 378.20612 188.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.