CID 409219

46985-99-3

Structural Information

Molecular Formula
C13H19N5O
SMILES
CCOC1=CC=C(C=C1)N2C(=NC(=NC2(C)C)N)N
InChI
InChI=1S/C13H19N5O/c1-4-19-10-7-5-9(6-8-10)18-12(15)16-11(14)17-13(18,2)3/h5-8H,4H2,1-3H3,(H4,14,15,16,17)
InChIKey
VLQRTOJDGFJEIE-UHFFFAOYSA-N
Compound name
1-(4-ethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

261.15897 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.16625 162.5
[M+Na]+ 284.14819 171.6
[M-H]- 260.15169 165.1
[M+NH4]+ 279.19279 176.7
[M+K]+ 300.12213 167.6
[M+H-H2O]+ 244.15623 153.4
[M+HCOO]- 306.15717 182.8
[M+CH3COO]- 320.17282 202.6
[M+Na-2H]- 282.13364 167.3
[M]+ 261.15842 161.4
[M]- 261.15952 161.4
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

No patent data available for this compound.