CID 67798582

1262197-81-8

Structural Information

Molecular Formula
C12H13N3O3
SMILES
CC1=CN(C=N1)C2=C(N=C(C=C2)C(=O)OC)OC
InChI
InChI=1S/C12H13N3O3/c1-8-6-15(7-13-8)10-5-4-9(12(16)18-3)14-11(10)17-2/h4-7H,1-3H3
InChIKey
PWFBGUZQQMGJRT-UHFFFAOYSA-N
Compound name
methyl 6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

247.09569 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.10297 153.5
[M+Na]+ 270.08491 163.5
[M-H]- 246.08841 157.2
[M+NH4]+ 265.12951 168.8
[M+K]+ 286.05885 161.3
[M+H-H2O]+ 230.09295 144.7
[M+HCOO]- 292.09389 175.2
[M+CH3COO]- 306.10954 193.1
[M+Na-2H]- 268.07036 156.7
[M]+ 247.09514 158.2
[M]- 247.09624 158.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe