CID 3041958

58892-46-9

Structural Information

Molecular Formula
C10H14F3N7O
SMILES
CC(=O)N1CCN(CC1)C2=NC(=NC(=N2)NN)C(F)(F)F
InChI
InChI=1S/C10H14F3N7O/c1-6(21)19-2-4-20(5-3-19)9-16-7(10(11,12)13)15-8(17-9)18-14/h2-5,14H2,1H3,(H,15,16,17,18)
InChIKey
BXKIGIOXWXCDMS-UHFFFAOYSA-N
Compound name
1-[4-[4-hydrazinyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1212 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12848 161.4
[M+Na]+ 328.11042 167.6
[M+NH4]+ 323.15502 163.2
[M+K]+ 344.08436 165.8
[M-H]- 304.11392 157.1
[M+Na-2H]- 326.09587 164.1
[M]+ 305.12065 160.2
[M]- 305.12175 160.2
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.