CID 132585357

5-carboxy imazapyr

Structural Information

Molecular Formula
C14H15N3O5
SMILES
CC(C)C1(C(=O)NC(=N1)C2=C(C=C(C=N2)C(=O)O)C(=O)O)C
InChI
InChI=1S/C14H15N3O5/c1-6(2)14(3)13(22)16-10(17-14)9-8(12(20)21)4-7(5-15-9)11(18)19/h4-6H,1-3H3,(H,18,19)(H,20,21)(H,16,17,22)
InChIKey
ZRPVTLGVORAGCY-UHFFFAOYSA-N
Compound name
2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

305.10117 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.108446 166.0
[M+Na]+ 328.090388 174.2
[M-H]- 304.093894 166.1
[M+NH4]+ 323.134993 178.5
[M+K]+ 344.064328 171.0
[M+H-H2O]+ 288.098430 159.4
[M+HCOO]- 350.099371 179.9
[M+CH3COO]- 364.115021 198.7
[M+Na-2H]- 326.075836 164.8
[M]+ 305.10062142 165.8
[M]- 305.10171858 165.8
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.