CID 18741

2h-1,4-benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(3-(4-methyl-1-piperazinyl)propyl)-5-phenyl-, maleate (1:2)

Structural Information

Molecular Formula
C23H27ClN4O
SMILES
CN1CCN(CC1)CCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C23H27ClN4O/c1-26-12-14-27(15-13-26)10-5-11-28-21-9-8-19(24)16-20(21)23(25-17-22(28)29)18-6-3-2-4-7-18/h2-4,6-9,16H,5,10-15,17H2,1H3
InChIKey
FAGZTPDJOLQCBZ-UHFFFAOYSA-N
Compound name
7-chloro-1-[3-(4-methylpiperazin-1-yl)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.18735 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.19463 202.8
[M+Na]+ 433.17657 209.6
[M-H]- 409.18007 207.3
[M+NH4]+ 428.22117 209.1
[M+K]+ 449.15051 205.5
[M+H-H2O]+ 393.18461 188.7
[M+HCOO]- 455.18555 209.6
[M+CH3COO]- 469.20120 209.2
[M+Na-2H]- 431.16202 202.7
[M]+ 410.18680 198.8
[M]- 410.18790 198.8
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