CID 3053204

6h-pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-(1-oxo-3-(4-(phenylmethyl)-1-piperazinyl)propyl)-

Structural Information

Molecular Formula
C26H27N5O2
SMILES
C1CN(CCN1CCC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4)CC5=CC=CC=C5
InChI
InChI=1S/C26H27N5O2/c32-24(12-14-29-15-17-30(18-16-29)19-20-7-2-1-3-8-20)31-23-11-5-4-9-21(23)26(33)28-22-10-6-13-27-25(22)31/h1-11,13H,12,14-19H2,(H,28,33)
InChIKey
HZZVQSVIIKFUJQ-UHFFFAOYSA-N
Compound name
11-[3-(4-benzylpiperazin-1-yl)propanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

441.21646 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.22374 212.6
[M+Na]+ 464.20568 217.0
[M-H]- 440.20918 215.6
[M+NH4]+ 459.25028 214.9
[M+K]+ 480.17962 212.1
[M+H-H2O]+ 424.21372 197.8
[M+HCOO]- 486.21466 219.1
[M+CH3COO]- 500.23031 216.6
[M+Na-2H]- 462.19113 213.7
[M]+ 441.21591 204.8
[M]- 441.21701 204.8
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

patents stripe