CID 5279189

Schembl641902

Structural Information

Molecular Formula
C23H17ClFN3O3
SMILES
COC1=CC=C(C=C1)C(=O)NC2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4F
InChI
InChI=1S/C23H17ClFN3O3/c1-31-15-9-6-13(7-10-15)22(29)28-21-23(30)26-19-11-8-14(24)12-17(19)20(27-21)16-4-2-3-5-18(16)25/h2-12,21H,1H3,(H,26,30)(H,28,29)
InChIKey
UCVFNGXFKOLJEX-UHFFFAOYSA-N
Compound name
N-[7-chloro-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
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

No literature data available for this compound.

Patent stripe

patents stripe