CID 17987

S-triazine, 4,6-bis(methylamino)-2-chloro-

Structural Information

Molecular Formula
C5H8ClN5
SMILES
CNC1=NC(=NC(=N1)Cl)NC
InChI
InChI=1S/C5H8ClN5/c1-7-4-9-3(6)10-5(8-2)11-4/h1-2H3,(H2,7,8,9,10,11)
InChIKey
JSAYULRNXVSYHK-UHFFFAOYSA-N
Compound name
6-chloro-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

173.04683 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.05411 134.0
[M+Na]+ 196.03605 144.0
[M-H]- 172.03955 134.1
[M+NH4]+ 191.08065 151.0
[M+K]+ 212.00999 140.6
[M+H-H2O]+ 156.04409 126.5
[M+HCOO]- 218.04503 153.2
[M+CH3COO]- 232.06068 183.3
[M+Na-2H]- 194.02150 143.1
[M]+ 173.04628 135.0
[M]- 173.04738 135.0
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