CID 16073789

Chembl282677

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4
Patents

261.15897 Da
Monoisotopic Mass

1.1
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

patents stripe