CID 16073795

Chembl20628

Structural Information

Molecular Formula
C20H22F3N5O2
SMILES
CC1(N=C(N=C(N1C2=CC(=CC=C2)OCCOC3=CC=CC(=C3)C(F)(F)F)N)N)C
InChI
InChI=1S/C20H22F3N5O2/c1-19(2)27-17(24)26-18(25)28(19)14-6-4-8-16(12-14)30-10-9-29-15-7-3-5-13(11-15)20(21,22)23/h3-8,11-12H,9-10H2,1-2H3,(H4,24,25,26,27)
InChIKey
ZJKYATYSNJZLSA-UHFFFAOYSA-N
Compound name
6,6-dimethyl-1-[3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]phenyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

421.17255 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.17983 201.5
[M+Na]+ 444.16177 210.1
[M-H]- 420.16527 203.1
[M+NH4]+ 439.20637 208.6
[M+K]+ 460.13571 203.7
[M+H-H2O]+ 404.16981 187.7
[M+HCOO]- 466.17075 215.9
[M+CH3COO]- 480.18640 230.6
[M+Na-2H]- 442.14722 203.8
[M]+ 421.17200 198.2
[M]- 421.17310 198.2
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.