CID 3008691

6,6-dimethyl-1-[(4-octoxyphenyl)methoxy]-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C20H33N5O2
SMILES
CCCCCCCCOC1=CC=C(C=C1)CON2C(=NC(=NC2(C)C)N)N
InChI
InChI=1S/C20H33N5O2/c1-4-5-6-7-8-9-14-26-17-12-10-16(11-13-17)15-27-25-19(22)23-18(21)24-20(25,2)3/h10-13H,4-9,14-15H2,1-3H3,(H4,21,22,23,24)
InChIKey
YOAADAMCWIBXEX-UHFFFAOYSA-N
Compound name
6,6-dimethyl-1-[(4-octoxyphenyl)methoxy]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.26343 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.27071 194.5
[M+Na]+ 398.25265 200.2
[M-H]- 374.25615 195.8
[M+NH4]+ 393.29725 203.8
[M+K]+ 414.22659 195.4
[M+H-H2O]+ 358.26069 183.8
[M+HCOO]- 420.26163 212.6
[M+CH3COO]- 434.27728 225.5
[M+Na-2H]- 396.23810 196.0
[M]+ 375.26288 197.1
[M]- 375.26398 197.1
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.