CID 3068725

1-methyl-2-benzoylaminomethyl-5-phenyl-1h-2,3-dihydro-1,4-benzodiazepine dihydrochloride

Structural Information

Molecular Formula
C24H23N3O
SMILES
CN1C(CN=C(C2=CC=CC=C21)C3=CC=CC=C3)CNC(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H23N3O/c1-27-20(17-26-24(28)19-12-6-3-7-13-19)16-25-23(18-10-4-2-5-11-18)21-14-8-9-15-22(21)27/h2-15,20H,16-17H2,1H3,(H,26,28)
InChIKey
AVCRRXXLQGKYNC-UHFFFAOYSA-N
Compound name
N-[(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

369.1841 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.19138 193.0
[M+Na]+ 392.17332 198.1
[M-H]- 368.17682 201.3
[M+NH4]+ 387.21792 202.1
[M+K]+ 408.14726 196.0
[M+H-H2O]+ 352.18136 182.5
[M+HCOO]- 414.18230 210.7
[M+CH3COO]- 428.19795 201.3
[M+Na-2H]- 390.15877 196.9
[M]+ 369.18355 188.7
[M]- 369.18465 188.7
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

patents stripe