CID 3072198

141234-30-2

Structural Information

Molecular Formula
C14H12ClN3O3
SMILES
CN1C(CN2C1=NC=C(C2=O)C(=O)O)C3=CC=CC=C3Cl
InChI
InChI=1S/C14H12ClN3O3/c1-17-11(8-4-2-3-5-10(8)15)7-18-12(19)9(13(20)21)6-16-14(17)18/h2-6,11H,7H2,1H3,(H,20,21)
InChIKey
GWFCOVAZHKHEHD-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-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

305.05673 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.06401 166.2
[M+Na]+ 328.04595 177.8
[M-H]- 304.04945 169.6
[M+NH4]+ 323.09055 180.4
[M+K]+ 344.01989 171.8
[M+H-H2O]+ 288.05399 158.1
[M+HCOO]- 350.05493 179.4
[M+CH3COO]- 364.07058 177.6
[M+Na-2H]- 326.03140 167.9
[M]+ 305.05618 169.4
[M]- 305.05728 169.4
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.