CID 84565

2-chloropyrimidine-4,5-diamine

Structural Information

Molecular Formula
C4H5ClN4
SMILES
C1=C(C(=NC(=N1)Cl)N)N
InChI
InChI=1S/C4H5ClN4/c5-4-8-1-2(6)3(7)9-4/h1H,6H2,(H2,7,8,9)
InChIKey
QDUJVEOOSNUDDW-UHFFFAOYSA-N
Compound name
2-chloropyrimidine-4,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

151
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

literature stripe

Patent stripe

patents stripe