CID 11495837

Chembl203786

Structural Information

Molecular Formula
C23H17ClFN3O3
SMILES
COC1=CC=CC=C1C(=O)NC2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4F
InChI
InChI=1S/C23H17ClFN3O3/c1-31-19-9-5-3-7-15(19)22(29)28-21-23(30)26-18-11-10-13(24)12-16(18)20(27-21)14-6-2-4-8-17(14)25/h2-12,21H,1H3,(H,26,30)(H,28,29)
InChIKey
IGORJLDJNGTHEX-UHFFFAOYSA-N
Compound name
N-[7-chloro-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

437.09424 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.10152 202.2
[M+Na]+ 460.08346 211.1
[M-H]- 436.08696 208.9
[M+NH4]+ 455.12806 209.6
[M+K]+ 476.05740 208.9
[M+H-H2O]+ 420.09150 191.1
[M+HCOO]- 482.09244 214.2
[M+CH3COO]- 496.10809 210.2
[M+Na-2H]- 458.06891 203.6
[M]+ 437.09369 200.7
[M]- 437.09479 200.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe