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

6
Patents

441.21646 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.223736 212.6
[M+Na]+ 464.205678 217.0
[M-H]- 440.209184 215.6
[M+NH4]+ 459.250283 214.9
[M+K]+ 480.179618 212.1
[M+H-H2O]+ 424.213720 197.8
[M+HCOO]- 486.214661 219.1
[M+CH3COO]- 500.230311 216.6
[M+Na-2H]- 462.191126 213.7
[M]+ 441.21591142 204.8
[M]- 441.21700858 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