CID 212706

Brn 0644974

Structural Information

Molecular Formula
C5H6ClN5O
SMILES
C1(=C(N=C(N=C1N)N)C(=O)N)Cl
InChI
InChI=1S/C5H6ClN5O/c6-1-2(4(8)12)10-5(9)11-3(1)7/h(H2,8,12)(H4,7,9,10,11)
InChIKey
LXWJSEMDEAWFOC-UHFFFAOYSA-N
Compound name
2,6-diamino-5-chloropyrimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.0261 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.03338 137.1
[M+Na]+ 210.01532 147.2
[M-H]- 186.01882 137.8
[M+NH4]+ 205.05992 153.8
[M+K]+ 225.98926 143.4
[M+H-H2O]+ 170.02336 130.7
[M+HCOO]- 232.02430 156.4
[M+CH3COO]- 246.03995 187.4
[M+Na-2H]- 208.00077 141.3
[M]+ 187.02555 134.5
[M]- 187.02665 134.5
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

No patent data available for this compound.