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 193.8
[M+Na]+ 401.19479 203.4
[M+NH4]+ 396.23939 198.8
[M+K]+ 417.16873 199.1
[M-H]- 377.19829 194.7
[M+Na-2H]- 399.18024 196.6
[M]+ 378.20502 195.1
[M]- 378.20612 195.1
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.