CID 11625259

Chembl377156

Structural Information

Molecular Formula
C22H16FN3O3
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)OC(=O)NC4=CC=CC=C4F
InChI
InChI=1S/C22H16FN3O3/c23-16-11-5-7-13-18(16)25-22(28)29-21-20(27)24-17-12-6-4-10-15(17)19(26-21)14-8-2-1-3-9-14/h1-13,21H,(H,24,27)(H,25,28)
InChIKey
CSTAQPIMQTTZEJ-UHFFFAOYSA-N
Compound name
(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) N-(2-fluorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.11758 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.12486 192.1
[M+Na]+ 412.10680 198.4
[M-H]- 388.11030 198.7
[M+NH4]+ 407.15140 199.8
[M+K]+ 428.08074 197.1
[M+H-H2O]+ 372.11484 181.1
[M+HCOO]- 434.11578 208.6
[M+CH3COO]- 448.13143 200.1
[M+Na-2H]- 410.09225 195.7
[M]+ 389.11703 187.0
[M]- 389.11813 187.0
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

No patent data available for this compound.