CID 15289761

Chembl367266

Structural Information

Molecular Formula
C16H25N5O
SMILES
CCCCCOC1=CC=C(C=C1)N2C(=NC(=NC2(C)C)N)N
InChI
InChI=1S/C16H25N5O/c1-4-5-6-11-22-13-9-7-12(8-10-13)21-15(18)19-14(17)20-16(21,2)3/h7-10H,4-6,11H2,1-3H3,(H4,17,18,19,20)
InChIKey
JKTCZPCDEUBDBJ-UHFFFAOYSA-N
Compound name
6,6-dimethyl-1-(4-pentoxyphenyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.2059 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.21318 175.2
[M+Na]+ 326.19512 183.0
[M-H]- 302.19862 177.3
[M+NH4]+ 321.23972 187.7
[M+K]+ 342.16906 178.3
[M+H-H2O]+ 286.20316 165.6
[M+HCOO]- 348.20410 194.6
[M+CH3COO]- 362.21975 211.5
[M+Na-2H]- 324.18057 178.6
[M]+ 303.20535 175.1
[M]- 303.20645 175.1
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.