CID 503941

3-[3-(3-chloroanilino)-5-methyl-imidazol-4-yl]benzamide

Structural Information

Molecular Formula
C17H15ClN4O
SMILES
CC1=C(N(C=N1)NC2=CC(=CC=C2)Cl)C3=CC(=CC=C3)C(=O)N
InChI
InChI=1S/C17H15ClN4O/c1-11-16(12-4-2-5-13(8-12)17(19)23)22(10-20-11)21-15-7-3-6-14(18)9-15/h2-10,21H,1H3,(H2,19,23)
InChIKey
YTFBNCWPZAXUBG-UHFFFAOYSA-N
Compound name
3-[3-(3-chloroanilino)-5-methylimidazol-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.09344 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.10072 175.9
[M+Na]+ 349.08266 184.9
[M-H]- 325.08616 183.4
[M+NH4]+ 344.12726 189.0
[M+K]+ 365.05660 177.9
[M+H-H2O]+ 309.09070 166.4
[M+HCOO]- 371.09164 194.9
[M+CH3COO]- 385.10729 186.8
[M+Na-2H]- 347.06811 177.6
[M]+ 326.09289 176.9
[M]- 326.09399 176.9
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.