CID 21320102

7-chloroimidazo[1,2-c]pyrimidin-5-ol

Structural Information

Molecular Formula
C6H4ClN3O
SMILES
C1=CN2C(=N1)C=C(NC2=O)Cl
InChI
InChI=1S/C6H4ClN3O/c7-4-3-5-8-1-2-10(5)6(11)9-4/h1-3H,(H,9,11)
InChIKey
MORDDYJPVSRHAG-UHFFFAOYSA-N
Compound name
7-chloro-6H-imidazo[1,2-c]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
Patents

169.00429 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.01157 127.8
[M+Na]+ 191.99351 141.3
[M-H]- 167.99701 128.0
[M+NH4]+ 187.03811 147.7
[M+K]+ 207.96745 136.2
[M+H-H2O]+ 152.00155 121.2
[M+HCOO]- 214.00249 145.6
[M+CH3COO]- 228.01814 142.1
[M+Na-2H]- 189.97896 136.5
[M]+ 169.00374 130.5
[M]- 169.00484 130.5
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