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]+ 203.06941 141.1
[M+Na]+ 225.05135 151.0
[M-H]- 201.05485 140.7
[M+NH4]+ 220.09595 157.1
[M+K]+ 241.02529 147.6
[M+H-H2O]+ 185.05939 133.3
[M+HCOO]- 247.06033 158.8
[M+CH3COO]- 261.07598 186.5
[M+Na-2H]- 223.03680 148.8
[M]+ 202.06158 144.9
[M]- 202.06268 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.