CID 3086936

Brn 5121061

Structural Information

Molecular Formula
C17H15ClFN3O
SMILES
C1C(NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(=O)N
InChI
InChI=1S/C17H15ClFN3O/c18-10-5-6-15-13(7-10)17(12-3-1-2-4-14(12)19)21-9-11(22-15)8-16(20)23/h1-7,11,22H,8-9H2,(H2,20,23)
InChIKey
JLVNKWZKMBXTOG-UHFFFAOYSA-N
Compound name
2-[7-chloro-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.08878 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.09606 172.5
[M+Na]+ 354.07800 181.1
[M-H]- 330.08150 175.6
[M+NH4]+ 349.12260 184.1
[M+K]+ 370.05194 178.6
[M+H-H2O]+ 314.08604 163.1
[M+HCOO]- 376.08698 184.4
[M+CH3COO]- 390.10263 181.8
[M+Na-2H]- 352.06345 175.2
[M]+ 331.08823 167.7
[M]- 331.08933 167.7
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

No patent data available for this compound.