CID 22326233

2-amino-3-(4-amino-6-chloropyrimidin-2-yl)propanoic acid dihydrochloride

Structural Information

Molecular Formula
C7H9ClN4O2
SMILES
C1=C(N=C(N=C1Cl)CC(C(=O)O)N)N
InChI
InChI=1S/C7H9ClN4O2/c8-4-2-5(10)12-6(11-4)1-3(9)7(13)14/h2-3H,1,9H2,(H,13,14)(H2,10,11,12)
InChIKey
JSDBUYFXEORMMX-UHFFFAOYSA-N
Compound name
2-amino-3-(4-amino-6-chloropyrimidin-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

216.0414 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.04868 143.7
[M+Na]+ 239.03062 152.1
[M-H]- 215.03412 143.0
[M+NH4]+ 234.07522 158.8
[M+K]+ 255.00456 148.4
[M+H-H2O]+ 199.03866 137.3
[M+HCOO]- 261.03960 159.8
[M+CH3COO]- 275.05525 188.2
[M+Na-2H]- 237.01607 146.9
[M]+ 216.04085 142.2
[M]- 216.04195 142.2
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