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 170.7
[M+Na]+ 328.11042 177.9
[M-H]- 304.11392 166.6
[M+NH4]+ 323.15502 177.9
[M+K]+ 344.08436 173.2
[M+H-H2O]+ 288.11846 157.7
[M+HCOO]- 350.11940 181.3
[M+CH3COO]- 364.13505 207.5
[M+Na-2H]- 326.09587 173.7
[M]+ 305.12065 161.7
[M]- 305.12175 161.7
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.