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 165.8
[M+Na]+ 328.04595 180.5
[M+NH4]+ 323.09055 172.4
[M+K]+ 344.01989 176.2
[M-H]- 304.04945 167.1
[M+Na-2H]- 326.03140 171.1
[M]+ 305.05618 168.4
[M]- 305.05728 168.4
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.