CID 3068763

83748-42-9

Structural Information

Molecular Formula
C24H22FN3O
SMILES
CN1C(CN=C(C2=C1C=C(C=C2)F)C3=CC=CC=C3)CNC(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H22FN3O/c1-28-20(16-27-24(29)18-10-6-3-7-11-18)15-26-23(17-8-4-2-5-9-17)21-13-12-19(25)14-22(21)28/h2-14,20H,15-16H2,1H3,(H,27,29)
InChIKey
KHRDYRZQWYEBQM-UHFFFAOYSA-N
Compound name
N-[(8-fluoro-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

2
Patents

387.17468 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.18196 195.2
[M+Na]+ 410.16390 201.2
[M-H]- 386.16740 202.5
[M+NH4]+ 405.20850 203.8
[M+K]+ 426.13784 198.8
[M+H-H2O]+ 370.17194 183.9
[M+HCOO]- 432.17288 211.9
[M+CH3COO]- 446.18853 203.3
[M+Na-2H]- 408.14935 197.9
[M]+ 387.17413 190.4
[M]- 387.17523 190.4
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