CID 6481773

4-fluoro-n-[4-(imidazol-1-ylmethyl)phenyl]benzamide

Structural Information

Molecular Formula
C17H14FN3O
SMILES
C1=CC(=CC=C1CN2C=CN=C2)NC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H14FN3O/c18-15-5-3-14(4-6-15)17(22)20-16-7-1-13(2-8-16)11-21-10-9-19-12-21/h1-10,12H,11H2,(H,20,22)
InChIKey
YAYRGDKNLUJLDJ-UHFFFAOYSA-N
Compound name
4-fluoro-N-[4-(imidazol-1-ylmethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1121 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11938 166.3
[M+Na]+ 318.10132 173.8
[M-H]- 294.10482 172.4
[M+NH4]+ 313.14592 179.8
[M+K]+ 334.07526 168.2
[M+H-H2O]+ 278.10936 155.3
[M+HCOO]- 340.11030 188.5
[M+CH3COO]- 354.12595 177.3
[M+Na-2H]- 316.08677 169.9
[M]+ 295.11155 164.7
[M]- 295.11265 164.7
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.