CID 54738

Imazapyr

Structural Information

Molecular Formula
C13H15N3O3
SMILES
CC(C)C1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)O)C
InChI
InChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19)
InChIKey
CLQMBPJKHLGMQK-UHFFFAOYSA-N
Compound name
2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

123
References

32480
Patents

261.11133 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.118606 157.9
[M+Na]+ 284.100548 166.5
[M-H]- 260.104054 159.0
[M+NH4]+ 279.145153 173.1
[M+K]+ 300.074488 163.0
[M+H-H2O]+ 244.108590 150.7
[M+HCOO]- 306.109531 174.1
[M+CH3COO]- 320.125181 191.9
[M+Na-2H]- 282.085996 159.0
[M]+ 261.11078142 157.1
[M]- 261.11187858 157.1
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