CID 3041954

58892-41-4

Structural Information

Molecular Formula
C9H14F3N5
SMILES
CC(C)NC1=NC(=NC(=N1)C(F)(F)F)N(C)C
InChI
InChI=1S/C9H14F3N5/c1-5(2)13-7-14-6(9(10,11)12)15-8(16-7)17(3)4/h5H,1-4H3,(H,13,14,15,16)
InChIKey
LRUFBHOLGKJZTC-UHFFFAOYSA-N
Compound name
2-N,2-N-dimethyl-4-N-propan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.12013 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12741 154.4
[M+Na]+ 272.10935 162.7
[M-H]- 248.11285 152.1
[M+NH4]+ 267.15395 168.1
[M+K]+ 288.08329 160.9
[M+H-H2O]+ 232.11739 143.4
[M+HCOO]- 294.11833 171.8
[M+CH3COO]- 308.13398 203.8
[M+Na-2H]- 270.09480 159.1
[M]+ 249.11958 151.7
[M]- 249.12068 151.7
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.