CID 178217

134887-87-9

Structural Information

Molecular Formula
C15H19N3O4
SMILES
CC(C)C1(C(=O)NC(=N1)C2=C(C=C(C=N2)C(C)O)C(=O)O)C
InChI
InChI=1S/C15H19N3O4/c1-7(2)15(4)14(22)17-12(18-15)11-10(13(20)21)5-9(6-16-11)8(3)19/h5-8,19H,1-4H3,(H,20,21)(H,17,18,22)
InChIKey
MVEDPQWFIBWXND-UHFFFAOYSA-N
Compound name
5-(1-hydroxyethyl)-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

2
Patents

305.13754 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.14482 169.1
[M+Na]+ 328.12676 176.7
[M-H]- 304.13026 168.9
[M+NH4]+ 323.17136 181.8
[M+K]+ 344.10070 173.3
[M+H-H2O]+ 288.13480 162.3
[M+HCOO]- 350.13574 182.3
[M+CH3COO]- 364.15139 200.1
[M+Na-2H]- 326.11221 167.2
[M]+ 305.13699 168.5
[M]- 305.13809 168.5
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