CID 2393619

2-(1h-1,3-benzodiazol-2-yl)-n-[(4-fluorophenyl)methyl]acetamide

Structural Information

Molecular Formula
C16H14FN3O
SMILES
C1=CC=C2C(=C1)NC(=N2)CC(=O)NCC3=CC=C(C=C3)F
InChI
InChI=1S/C16H14FN3O/c17-12-7-5-11(6-8-12)10-18-16(21)9-15-19-13-3-1-2-4-14(13)20-15/h1-8H,9-10H2,(H,18,21)(H,19,20)
InChIKey
FSHGADSNHAWCAV-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1121 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.119376 162.4
[M+Na]+ 306.101318 171.1
[M-H]- 282.104824 165.3
[M+NH4]+ 301.145923 177.3
[M+K]+ 322.075258 164.6
[M+H-H2O]+ 266.109360 152.7
[M+HCOO]- 328.110301 183.4
[M+CH3COO]- 342.125951 173.5
[M+Na-2H]- 304.086766 167.8
[M]+ 283.11155142 161.5
[M]- 283.11264858 161.5
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.