CID 5279118

N-(4-methylpiperazine-1-carbonyl)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide

Structural Information

Molecular Formula
C22H23N5O3
SMILES
CN1CCN(CC1)C(=O)NC(=O)C2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C22H23N5O3/c1-26-11-13-27(14-12-26)22(30)25-21(29)19-20(28)23-17-10-6-5-9-16(17)18(24-19)15-7-3-2-4-8-15/h2-10,19H,11-14H2,1H3,(H,23,28)(H,25,29,30)
InChIKey
HDCQVJZFFLYHGL-UHFFFAOYSA-N
Compound name
N-(4-methylpiperazine-1-carbonyl)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.18008 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.18736 199.8
[M+Na]+ 428.16930 203.6
[M-H]- 404.17280 204.2
[M+NH4]+ 423.21390 204.0
[M+K]+ 444.14324 202.3
[M+H-H2O]+ 388.17734 187.0
[M+HCOO]- 450.17828 210.0
[M+CH3COO]- 464.19393 205.4
[M+Na-2H]- 426.15475 200.4
[M]+ 405.17953 191.4
[M]- 405.18063 191.4
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.