CID 427298

Chembl427826

Structural Information

Molecular Formula
C12H14F3N5
SMILES
CC1(N=C(N=C(N1C2=CC=C(C=C2)C(F)(F)F)N)N)C
InChI
InChI=1S/C12H14F3N5/c1-11(2)19-9(16)18-10(17)20(11)8-5-3-7(4-6-8)12(13,14)15/h3-6H,1-2H3,(H4,16,17,18,19)
InChIKey
ROTRAHDYGVFVQU-UHFFFAOYSA-N
Compound name
6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

285.12012 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12740 164.7
[M+Na]+ 308.10934 175.1
[M-H]- 284.11284 163.7
[M+NH4]+ 303.15394 178.0
[M+K]+ 324.08328 169.7
[M+H-H2O]+ 268.11738 153.8
[M+HCOO]- 330.11832 180.3
[M+CH3COO]- 344.13397 205.3
[M+Na-2H]- 306.09479 169.0
[M]+ 285.11957 157.9
[M]- 285.12067 157.9
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.