CID 16074054

2-methyl-n-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)butanamide

Structural Information

Molecular Formula
C20H21N3O2
SMILES
CCC(C)C(=O)NC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C20H21N3O2/c1-3-13(2)19(24)23-18-20(25)21-16-12-8-7-11-15(16)17(22-18)14-9-5-4-6-10-14/h4-13,18H,3H2,1-2H3,(H,21,25)(H,23,24)
InChIKey
MNZNVTZINORTLH-UHFFFAOYSA-N
Compound name
2-methyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.1634 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 180.1
[M+Na]+ 358.15262 185.0
[M-H]- 334.15612 184.8
[M+NH4]+ 353.19722 190.4
[M+K]+ 374.12656 184.6
[M+H-H2O]+ 318.16066 171.2
[M+HCOO]- 380.16160 196.2
[M+CH3COO]- 394.17725 188.7
[M+Na-2H]- 356.13807 182.7
[M]+ 335.16285 175.7
[M]- 335.16395 175.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.