CID 3072197

141234-29-9

Structural Information

Molecular Formula
C15H15N3O4
SMILES
CN1C(CN2C1=NC=C(C2=O)C(=O)O)C3=CC=CC=C3OC
InChI
InChI=1S/C15H15N3O4/c1-17-11(9-5-3-4-6-12(9)22-2)8-18-13(19)10(14(20)21)7-16-15(17)18/h3-7,11H,8H2,1-2H3,(H,20,21)
InChIKey
GLNMUCUIERVOBN-UHFFFAOYSA-N
Compound name
2-(2-methoxyphenyl)-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.10626 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.11354 167.5
[M+Na]+ 324.09548 177.7
[M-H]- 300.09898 171.0
[M+NH4]+ 319.14008 180.9
[M+K]+ 340.06942 173.6
[M+H-H2O]+ 284.10352 158.8
[M+HCOO]- 346.10446 185.1
[M+CH3COO]- 360.12011 202.4
[M+Na-2H]- 322.08093 169.2
[M]+ 301.10571 170.4
[M]- 301.10681 170.4
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

No patent data available for this compound.