CID 18926

Etatryn

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

157
Patents

191.99695 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.00423 134.4
[M+Na]+ 214.98617 145.3
[M-H]- 190.98967 133.5
[M+NH4]+ 210.03077 151.2
[M+K]+ 230.96011 140.8
[M+H-H2O]+ 174.99421 127.5
[M+HCOO]- 236.99515 147.2
[M+CH3COO]- 251.01080 183.2
[M+Na-2H]- 212.97162 142.3
[M]+ 191.99640 136.7
[M]- 191.99750 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