CID 3068727

83736-23-6

Structural Information

Molecular Formula
C25H24FN3O2
SMILES
CN1C(CN=C(C2=C1C=C(C=C2)OC)C3=CC=C(C=C3)F)CNC(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H24FN3O2/c1-29-20(16-28-25(30)18-6-4-3-5-7-18)15-27-24(17-8-10-19(26)11-9-17)22-13-12-21(31-2)14-23(22)29/h3-14,20H,15-16H2,1-2H3,(H,28,30)
InChIKey
LYHLHCJYKOFHQW-UHFFFAOYSA-N
Compound name
N-[[5-(4-fluorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

417.18524 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.19252 203.1
[M+Na]+ 440.17446 209.3
[M-H]- 416.17796 210.7
[M+NH4]+ 435.21906 210.7
[M+K]+ 456.14840 207.8
[M+H-H2O]+ 400.18250 191.5
[M+HCOO]- 462.18344 219.6
[M+CH3COO]- 476.19909 210.9
[M+Na-2H]- 438.15991 204.6
[M]+ 417.18469 200.3
[M]- 417.18579 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

patents stripe