CID 3083550

Schembl22031664

Structural Information

Molecular Formula
C14H17N3O3
SMILES
CC1=NC(=C(C=C1)C(=O)O)C2=NC(C(=O)N2)(C)C(C)C
InChI
InChI=1S/C14H17N3O3/c1-7(2)14(4)13(20)16-11(17-14)10-9(12(18)19)6-5-8(3)15-10/h5-7H,1-4H3,(H,18,19)(H,16,17,20)
InChIKey
LCJAIVXHZYPLQY-UHFFFAOYSA-N
Compound name
6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

275.12698 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.134256 161.7
[M+Na]+ 298.116198 170.8
[M-H]- 274.119704 163.0
[M+NH4]+ 293.160803 176.6
[M+K]+ 314.090138 167.1
[M+H-H2O]+ 258.124240 154.7
[M+HCOO]- 320.125181 177.6
[M+CH3COO]- 334.140831 196.1
[M+Na-2H]- 296.101646 161.7
[M]+ 275.12643142 161.7
[M]- 275.12752858 161.7
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

patents stripe