CID 3086937

Brn 5134288

Structural Information

Molecular Formula
C18H17ClFN3O
SMILES
CN1C(CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F)CC(=O)N
InChI
InChI=1S/C18H17ClFN3O/c1-23-12(9-17(21)24)10-22-18(13-4-2-3-5-15(13)20)14-8-11(19)6-7-16(14)23/h2-8,12H,9-10H2,1H3,(H2,21,24)
InChIKey
UHABRMZPAVZIRU-UHFFFAOYSA-N
Compound name
2-[7-chloro-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.10443 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.11171 177.1
[M+Na]+ 368.09365 186.5
[M-H]- 344.09715 181.6
[M+NH4]+ 363.13825 189.0
[M+K]+ 384.06759 184.6
[M+H-H2O]+ 328.10169 167.4
[M+HCOO]- 390.10263 190.0
[M+CH3COO]- 404.11828 186.9
[M+Na-2H]- 366.07910 178.9
[M]+ 345.10388 174.7
[M]- 345.10498 174.7
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.