CID 3068743

83736-67-8

Structural Information

Molecular Formula
C25H24FN3O2
SMILES
CN1C(CN=C(C2=CC=CC=C21)C3=CC=CC=C3F)CNC(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C25H24FN3O2/c1-29-18(16-28-25(30)17-11-13-19(31-2)14-12-17)15-27-24(20-7-3-5-9-22(20)26)21-8-4-6-10-23(21)29/h3-14,18H,15-16H2,1-2H3,(H,28,30)
InChIKey
IVQMLNHYICHYOB-UHFFFAOYSA-N
Compound name
N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.18524 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.192516 203.1
[M+Na]+ 440.174458 209.3
[M-H]- 416.177964 210.7
[M+NH4]+ 435.219063 210.7
[M+K]+ 456.148398 207.8
[M+H-H2O]+ 400.182500 191.5
[M+HCOO]- 462.183441 219.6
[M+CH3COO]- 476.199091 210.9
[M+Na-2H]- 438.159906 204.6
[M]+ 417.18469142 200.3
[M]- 417.18578858 200.3
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

No patent data available for this compound.