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 194.4
[M+Na]+ 392.17332 208.2
[M+NH4]+ 387.21792 201.5
[M+K]+ 408.14726 199.9
[M-H]- 368.17682 200.8
[M+Na-2H]- 390.15877 203.9
[M]+ 369.18355 198.4
[M]- 369.18465 198.4
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