CID 11596127

Chembl204044

Structural Information

Molecular Formula
C23H20N4O2
SMILES
CNC1=CC=CC=C1C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C23H20N4O2/c1-24-18-13-7-6-12-17(18)22(28)27-21-23(29)25-19-14-8-5-11-16(19)20(26-21)15-9-3-2-4-10-15/h2-14,21,24H,1H3,(H,25,29)(H,27,28)
InChIKey
ZQVASVCJFBJMDD-UHFFFAOYSA-N
Compound name
2-(methylamino)-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.15863 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16591 195.6
[M+Na]+ 407.14785 200.8
[M-H]- 383.15135 203.4
[M+NH4]+ 402.19245 203.3
[M+K]+ 423.12179 199.3
[M+H-H2O]+ 367.15589 185.1
[M+HCOO]- 429.15683 213.6
[M+CH3COO]- 443.17248 203.4
[M+Na-2H]- 405.13330 199.8
[M]+ 384.15808 190.0
[M]- 384.15918 190.0
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.