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

25140
Patents

275.12698 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.13426 161.7
[M+Na]+ 298.11620 170.8
[M-H]- 274.11970 163.0
[M+NH4]+ 293.16080 176.6
[M+K]+ 314.09014 167.1
[M+H-H2O]+ 258.12424 154.7
[M+HCOO]- 320.12518 177.6
[M+CH3COO]- 334.14083 196.1
[M+Na-2H]- 296.10165 161.7
[M]+ 275.12643 161.7
[M]- 275.12753 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

literature stripe

Patent stripe

patents stripe