CID 3034382

Para-imazamethabenz

Structural Information

Molecular Formula
C15H18N2O3
SMILES
CC1=CC(=C(C=C1)C(=O)O)C2=NC(C(=O)N2)(C)C(C)C
InChI
InChI=1S/C15H18N2O3/c1-8(2)15(4)14(20)16-12(17-15)11-7-9(3)5-6-10(11)13(18)19/h5-8H,1-4H3,(H,18,19)(H,16,17,20)
InChIKey
KFEFNHNXZQYTEW-UHFFFAOYSA-N
Compound name
4-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6097
Patents

274.13174 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13902 161.7
[M+Na]+ 297.12096 170.3
[M-H]- 273.12446 164.1
[M+NH4]+ 292.16556 178.0
[M+K]+ 313.09490 166.5
[M+H-H2O]+ 257.12900 155.3
[M+HCOO]- 319.12994 178.5
[M+CH3COO]- 333.14559 196.2
[M+Na-2H]- 295.10641 161.2
[M]+ 274.13119 161.5
[M]- 274.13229 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

literature stripe

Patent stripe

patents stripe