CID 91770

Imazapic

Structural Information

Molecular Formula

C₁₄H₁₇N₃O₃

SMILES

CC1=CC(=C(N=C1)C2=NC(C(=O)N2)(C)C(C)C)C(=O)O

InChI

InChI=1S/C14H17N3O3/c1-7(2)14(4)13(20)16-11(17-14)10-9(12(18)19)5-8(3)6-15-10/h5-7H,1-4H3,(H,18,19)(H,16,17,20)

InChIKey

PVSGXWMWNRGTKE-UHFFFAOYSA-N

Compound name

5-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

7
Annotation Hits: 24
References: 26592
Patents: 275.12698 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe