CID 20745765

2-chloro-4,6-dimethoxypyrimidin-5-amine

Structural Information

Molecular Formula
C6H8ClN3O2
SMILES
COC1=C(C(=NC(=N1)Cl)OC)N
InChI
InChI=1S/C6H8ClN3O2/c1-11-4-3(8)5(12-2)10-6(7)9-4/h8H2,1-2H3
InChIKey
LKRMQCPKYCVJAT-UHFFFAOYSA-N
Compound name
2-chloro-4,6-dimethoxypyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

189.0305 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.03778 135.1
[M+Na]+ 212.01972 146.3
[M-H]- 188.02322 136.4
[M+NH4]+ 207.06432 153.1
[M+K]+ 227.99366 143.6
[M+H-H2O]+ 172.02776 128.8
[M+HCOO]- 234.02870 154.2
[M+CH3COO]- 248.04435 183.2
[M+Na-2H]- 210.00517 141.6
[M]+ 189.02995 139.0
[M]- 189.03105 139.0
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