CID 9554267

58892-48-1

Structural Information

Molecular Formula
C17H20F3N7O
SMILES
C1CN(CCN1CCO)C2=NC(=NC(=N2)N/N=C/C3=CC=CC=C3)C(F)(F)F
InChI
InChI=1S/C17H20F3N7O/c18-17(19,20)14-22-15(25-21-12-13-4-2-1-3-5-13)24-16(23-14)27-8-6-26(7-9-27)10-11-28/h1-5,12,28H,6-11H2,(H,22,23,24,25)/b21-12+
InChIKey
FUXORNRQGGNLHB-CIAFOILYSA-N
Compound name
2-[4-[4-[(2E)-2-benzylidenehydrazinyl]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.16815 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.17543 193.9
[M+Na]+ 418.15737 199.4
[M-H]- 394.16087 192.3
[M+NH4]+ 413.20197 196.9
[M+K]+ 434.13131 191.8
[M+H-H2O]+ 378.16541 178.3
[M+HCOO]- 440.16635 204.8
[M+CH3COO]- 454.18200 223.6
[M+Na-2H]- 416.14282 198.2
[M]+ 395.16760 186.3
[M]- 395.16870 186.3
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.