CID 25724510

Wr 180409

Structural Information

Molecular Formula
C19H18F6N2O
SMILES
C1CCN[C@@H](C1)[C@H](C2=CC(=NC(=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)O
InChI
InChI=1S/C19H18F6N2O/c20-18(21,22)13-6-4-11(5-7-13)15-9-12(10-16(27-15)19(23,24)25)17(28)14-3-1-2-8-26-14/h4-7,9-10,14,17,26,28H,1-3,8H2/t14-,17-/m0/s1
InChIKey
OCVRKDMRZFCUEE-YOEHRIQHSA-N
Compound name
(S)-[(2S)-piperidin-2-yl]-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

0
Patents

404.13232 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.13960 192.3
[M+Na]+ 427.12154 197.8
[M-H]- 403.12504 188.1
[M+NH4]+ 422.16614 198.3
[M+K]+ 443.09548 189.8
[M+H-H2O]+ 387.12958 177.7
[M+HCOO]- 449.13052 195.6
[M+CH3COO]- 463.14617 216.7
[M+Na-2H]- 425.10699 191.0
[M]+ 404.13177 177.6
[M]- 404.13287 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.