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

59
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 123.3
[M+Na]+ 167.00950 136.2
[M+NH4]+ 162.05410 131.5
[M+K]+ 182.98344 130.6
[M-H]- 143.01300 125.3
[M+Na-2H]- 164.99495 130.5
[M]+ 144.01973 125.8
[M]- 144.02083 125.8
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