CID 43384254

1154964-62-1

Structural Information

Molecular Formula
C11H15F3N4
SMILES
C1CN(CCN1CC(F)(F)F)C2=CN=C(C=C2)N
InChI
InChI=1S/C11H15F3N4/c12-11(13,14)8-17-3-5-18(6-4-17)9-1-2-10(15)16-7-9/h1-2,7H,3-6,8H2,(H2,15,16)
InChIKey
OAEROHBZMMWNPI-UHFFFAOYSA-N
Compound name
5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

260.12488 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13216 159.1
[M+Na]+ 283.11410 165.7
[M-H]- 259.11760 156.7
[M+NH4]+ 278.15870 171.0
[M+K]+ 299.08804 161.0
[M+H-H2O]+ 243.12214 147.1
[M+HCOO]- 305.12308 171.6
[M+CH3COO]- 319.13873 196.6
[M+Na-2H]- 281.09955 162.5
[M]+ 260.12433 149.5
[M]- 260.12543 149.5
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

patents stripe