CID 199906

1,3,5-triazin-2-amine, 4-(chloromethyl)-n-ethyl-6-methoxy-

Structural Information

Molecular Formula
C7H11ClN4O
SMILES
CCNC1=NC(=NC(=N1)CCl)OC
InChI
InChI=1S/C7H11ClN4O/c1-3-9-6-10-5(4-8)11-7(12-6)13-2/h3-4H2,1-2H3,(H,9,10,11,12)
InChIKey
DWQNTSPCDYMUPI-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.06213 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.069406 141.1
[M+Na]+ 225.051348 151.0
[M-H]- 201.054854 140.7
[M+NH4]+ 220.095953 157.1
[M+K]+ 241.025288 147.6
[M+H-H2O]+ 185.059390 133.3
[M+HCOO]- 247.060331 158.8
[M+CH3COO]- 261.075981 186.5
[M+Na-2H]- 223.036796 148.8
[M]+ 202.06158142 144.9
[M]- 202.06267858 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.