CID 9554265

Benzaldehyde, (4-(1-piperazinyl)-6-(trifluoromethyl)-1,3,5-triazin-2-yl)hydrazone

Structural Information

Molecular Formula
C15H16F3N7
SMILES
C1CN(CCN1)C2=NC(=NC(=N2)N/N=C/C3=CC=CC=C3)C(F)(F)F
InChI
InChI=1S/C15H16F3N7/c16-15(17,18)12-21-13(24-20-10-11-4-2-1-3-5-11)23-14(22-12)25-8-6-19-7-9-25/h1-5,10,19H,6-9H2,(H,21,22,23,24)/b20-10+
InChIKey
IQMMYJOTDJAFTN-KEBDBYFISA-N
Compound name
N-[(E)-benzylideneamino]-4-piperazin-1-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.14194 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.14922 181.4
[M+Na]+ 374.13116 187.1
[M-H]- 350.13466 179.8
[M+NH4]+ 369.17576 186.1
[M+K]+ 390.10510 179.3
[M+H-H2O]+ 334.13920 166.1
[M+HCOO]- 396.14014 192.9
[M+CH3COO]- 410.15579 187.5
[M+Na-2H]- 372.11661 187.4
[M]+ 351.14139 171.4
[M]- 351.14249 171.4
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.