CID 45479263

2,4-diamino-6-methyl-5,3'-(3-trifluoromethylphenoxy)prop-1'-yloxypyrimidine

Structural Information

Molecular Formula
C15H17F3N4O2
SMILES
CC1=C(C(=NC(=N1)N)N)OCCCOC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C15H17F3N4O2/c1-9-12(13(19)22-14(20)21-9)24-7-3-6-23-11-5-2-4-10(8-11)15(16,17)18/h2,4-5,8H,3,6-7H2,1H3,(H4,19,20,21,22)
InChIKey
ZTHDNDKUAPDRQD-UHFFFAOYSA-N
Compound name
6-methyl-5-[3-[3-(trifluoromethyl)phenoxy]propoxy]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.13037 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13765 178.5
[M+Na]+ 365.11959 187.1
[M-H]- 341.12309 178.3
[M+NH4]+ 360.16419 188.5
[M+K]+ 381.09353 182.0
[M+H-H2O]+ 325.12763 166.5
[M+HCOO]- 387.12857 196.2
[M+CH3COO]- 401.14422 216.0
[M+Na-2H]- 363.10504 181.0
[M]+ 342.12982 176.0
[M]- 342.13092 176.0
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.