CID 503942

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

Structural Information

Molecular Formula
C18H18N4O
SMILES
CC1=CC(=CC=C1)NN2C=NC(=C2C3=CC(=CC=C3)C(=O)N)C
InChI
InChI=1S/C18H18N4O/c1-12-5-3-8-16(9-12)21-22-11-20-13(2)17(22)14-6-4-7-15(10-14)18(19)23/h3-11,21H,1-2H3,(H2,19,23)
InChIKey
HGMKRGSDMVEVMC-UHFFFAOYSA-N
Compound name
3-[5-methyl-3-(3-methylanilino)imidazol-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

306.14807 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.15535 172.5
[M+Na]+ 329.13729 180.4
[M-H]- 305.14079 180.2
[M+NH4]+ 324.18189 185.6
[M+K]+ 345.11123 174.8
[M+H-H2O]+ 289.14533 162.6
[M+HCOO]- 351.14627 195.9
[M+CH3COO]- 365.16192 183.6
[M+Na-2H]- 327.12274 174.4
[M]+ 306.14752 171.7
[M]- 306.14862 171.7
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

patents stripe