CID 18926

4,6-dichloro-n-ethyl-1,3,5-triazin-2-amine

Structural Information

Molecular Formula
C5H6Cl2N4
SMILES
CCNC1=NC(=NC(=N1)Cl)Cl
InChI
InChI=1S/C5H6Cl2N4/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H,8,9,10,11)
InChIKey
ACAHVXOSWOUZAB-UHFFFAOYSA-N
Compound name
4,6-dichloro-N-ethyl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

206
Patents

191.99695 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.004226 134.4
[M+Na]+ 214.986168 145.3
[M-H]- 190.989674 133.5
[M+NH4]+ 210.030773 151.2
[M+K]+ 230.960108 140.8
[M+H-H2O]+ 174.994210 127.5
[M+HCOO]- 236.995151 147.2
[M+CH3COO]- 251.010801 183.2
[M+Na-2H]- 212.971616 142.3
[M]+ 191.99640142 136.7
[M]- 191.99749858 136.7
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