CID 12580432

5-chloropyrimidine-2,4-diamine

Structural Information

Molecular Formula
C4H5ClN4
SMILES
C1=C(C(=NC(=N1)N)N)Cl
InChI
InChI=1S/C4H5ClN4/c5-2-1-8-4(7)9-3(2)6/h1H,(H4,6,7,8,9)
InChIKey
ZXPMVKXDIBNUKN-UHFFFAOYSA-N
Compound name
5-chloropyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

144.02028 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.02756 125.5
[M+Na]+ 167.00950 136.0
[M-H]- 143.01300 126.2
[M+NH4]+ 162.05410 144.5
[M+K]+ 182.98344 132.2
[M+H-H2O]+ 127.01754 119.4
[M+HCOO]- 189.01848 145.2
[M+CH3COO]- 203.03413 176.1
[M+Na-2H]- 164.99495 133.0
[M]+ 144.01973 123.7
[M]- 144.02083 123.7
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