CID 11682221

Chembl205319

Structural Information

Molecular Formula
C23H21N3O2
SMILES
COC1=CC=C(C=C1)CNC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C23H21N3O2/c1-28-18-13-11-16(12-14-18)15-24-22-23(27)25-20-10-6-5-9-19(20)21(26-22)17-7-3-2-4-8-17/h2-14,22,24H,15H2,1H3,(H,25,27)
InChIKey
MHVFEIYTXIHPIL-UHFFFAOYSA-N
Compound name
3-[(4-methoxyphenyl)methylamino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.1634 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.17068 192.9
[M+Na]+ 394.15262 198.8
[M-H]- 370.15612 200.4
[M+NH4]+ 389.19722 201.4
[M+K]+ 410.12656 196.7
[M+H-H2O]+ 354.16066 182.5
[M+HCOO]- 416.16160 210.6
[M+CH3COO]- 430.17725 201.1
[M+Na-2H]- 392.13807 197.2
[M]+ 371.16285 188.9
[M]- 371.16395 188.9
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.