CID 9554264

58892-36-7

Structural Information

Molecular Formula
C14H15F3N6
SMILES
CC(C)NC1=NC(=NC(=N1)C(F)(F)F)N/N=C/C2=CC=CC=C2
InChI
InChI=1S/C14H15F3N6/c1-9(2)19-12-20-11(14(15,16)17)21-13(22-12)23-18-8-10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,19,20,21,22,23)/b18-8+
InChIKey
HXRDJYAUHSNLNV-QGMBQPNBSA-N
Compound name
2-N-[(E)-benzylideneamino]-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

324.13104 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13832 173.0
[M+Na]+ 347.12026 180.2
[M-H]- 323.12376 173.4
[M+NH4]+ 342.16486 182.8
[M+K]+ 363.09420 175.1
[M+H-H2O]+ 307.12830 159.8
[M+HCOO]- 369.12924 192.3
[M+CH3COO]- 383.14489 217.0
[M+Na-2H]- 345.10571 179.7
[M]+ 324.13049 168.9
[M]- 324.13159 168.9
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.