CID 3068749

83736-81-6

Structural Information

Molecular Formula
C25H24FN3O
SMILES
CC1=CC2=C(C=C1)N(C(CN=C2C3=CC=CC=C3F)CNC(=O)C4=CC=CC=C4)C
InChI
InChI=1S/C25H24FN3O/c1-17-12-13-23-21(14-17)24(20-10-6-7-11-22(20)26)27-15-19(29(23)2)16-28-25(30)18-8-4-3-5-9-18/h3-14,19H,15-16H2,1-2H3,(H,28,30)
InChIKey
NGUPXHYJCOHFKA-UHFFFAOYSA-N
Compound name
N-[[5-(2-fluorophenyl)-1,7-dimethyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.19034 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.19762 200.1
[M+Na]+ 424.17956 206.5
[M-H]- 400.18306 207.6
[M+NH4]+ 419.22416 208.4
[M+K]+ 440.15350 204.2
[M+H-H2O]+ 384.18760 188.7
[M+HCOO]- 446.18854 216.5
[M+CH3COO]- 460.20419 208.0
[M+Na-2H]- 422.16501 201.5
[M]+ 401.18979 196.0
[M]- 401.19089 196.0
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.