CID 16073809

Chembl282932

Structural Information

Molecular Formula
C20H25N5O
SMILES
CCC1=CC(=CC=C1)OCC2=CC(=CC=C2)N3C(=NC(=NC3(C)C)N)N
InChI
InChI=1S/C20H25N5O/c1-4-14-7-6-10-17(12-14)26-13-15-8-5-9-16(11-15)25-19(22)23-18(21)24-20(25,2)3/h5-12H,4,13H2,1-3H3,(H4,21,22,23,24)
InChIKey
VEBQFPSIZLJALQ-UHFFFAOYSA-N
Compound name
1-[3-[(3-ethylphenoxy)methyl]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

351.2059 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.21318 188.7
[M+Na]+ 374.19512 196.9
[M-H]- 350.19862 194.1
[M+NH4]+ 369.23972 198.8
[M+K]+ 390.16906 190.6
[M+H-H2O]+ 334.20316 177.3
[M+HCOO]- 396.20410 207.8
[M+CH3COO]- 410.21975 197.8
[M+Na-2H]- 372.18057 191.7
[M]+ 351.20535 187.7
[M]- 351.20645 187.7
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

No patent data available for this compound.