CID 20284979

Ethyl 4-amino-2-chloropyrimidine-5-carboxylate

Structural Information

Molecular Formula
C7H8ClN3O2
SMILES
CCOC(=O)C1=CN=C(N=C1N)Cl
InChI
InChI=1S/C7H8ClN3O2/c1-2-13-6(12)4-3-10-7(8)11-5(4)9/h3H,2H2,1H3,(H2,9,10,11)
InChIKey
FZRLBTIPZJXREW-UHFFFAOYSA-N
Compound name
ethyl 4-amino-2-chloropyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

201.0305 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.03778 138.6
[M+Na]+ 224.01972 151.2
[M+NH4]+ 219.06432 145.5
[M+K]+ 239.99366 146.1
[M-H]- 200.02322 139.0
[M+Na-2H]- 222.00517 144.4
[M]+ 201.02995 140.5
[M]- 201.03105 140.5
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