CID 5279144

Schembl644131

Structural Information

Molecular Formula
C23H21N3O2
SMILES
COC1=CC=CC=C1CNC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C23H21N3O2/c1-28-20-14-8-5-11-17(20)15-24-22-23(27)25-19-13-7-6-12-18(19)21(26-22)16-9-3-2-4-10-16/h2-14,22,24H,15H2,1H3,(H,25,27)
InChIKey
YAKDYRUTAGMFMS-UHFFFAOYSA-N
Compound name
3-[(2-methoxyphenyl)methylamino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
Patents

371.1634 Da
Monoisotopic Mass

3.6
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

patents stripe