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

96
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

literature stripe

Patent stripe

patents stripe