CID 500505

6-chloropyrimidine-2,4,5-triamine

Structural Information

Molecular Formula
C4H6ClN5
SMILES
C1(=C(N=C(N=C1Cl)N)N)N
InChI
InChI=1S/C4H6ClN5/c5-2-1(6)3(7)10-4(8)9-2/h6H2,(H4,7,8,9,10)
InChIKey
BMCHNFZLERXZBI-UHFFFAOYSA-N
Compound name
6-chloropyrimidine-2,4,5-triamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

92
Patents

159.03117 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.038446 130.7
[M+Na]+ 182.020388 141.3
[M-H]- 158.023894 131.3
[M+NH4]+ 177.064993 148.7
[M+K]+ 197.994328 137.2
[M+H-H2O]+ 142.028430 124.5
[M+HCOO]- 204.029371 150.8
[M+CH3COO]- 218.045021 182.0
[M+Na-2H]- 180.005836 136.5
[M]+ 159.03062142 127.6
[M]- 159.03171858 127.6
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