CID 67432

4-chloro-2,6-diaminopyrimidine

Structural Information

Molecular Formula
C4H5ClN4
SMILES
C1=C(N=C(N=C1Cl)N)N
InChI
InChI=1S/C4H5ClN4/c5-2-1-3(6)9-4(7)8-2/h1H,(H4,6,7,8,9)
InChIKey
QJIUMVUZDYPQRT-UHFFFAOYSA-N
Compound name
6-chloropyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1064
Patents

144.02028 Da
Monoisotopic Mass

0.5
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