CID 3041956

Tr-10

Structural Information

Molecular Formula
C10H15F3N6O
SMILES
C1CN(CCN1CCO)C2=NC(=NC(=N2)N)C(F)(F)F
InChI
InChI=1S/C10H15F3N6O/c11-10(12,13)7-15-8(14)17-9(16-7)19-3-1-18(2-4-19)5-6-20/h20H,1-6H2,(H2,14,15,16,17)
InChIKey
QCKGSDOBTWVCSI-UHFFFAOYSA-N
Compound name
2-[4-[4-amino-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

292.12595 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.13323 162.4
[M+Na]+ 315.11517 169.4
[M+NH4]+ 310.15977 164.6
[M+K]+ 331.08911 166.7
[M-H]- 291.11867 157.7
[M+Na-2H]- 313.10062 164.9
[M]+ 292.12540 161.4
[M]- 292.12650 161.4
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.