CID 135659014

Refchem:909263

Structural Information

Molecular Formula
C17H21F3N4O
SMILES
C1CN(CCN1CCO)CC2=CN(N=C2)C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C17H21F3N4O/c18-17(19,20)15-1-3-16(4-2-15)24-13-14(11-21-24)12-23-7-5-22(6-8-23)9-10-25/h1-4,11,13,25H,5-10,12H2
InChIKey
ANALDIHCCGMAEX-UHFFFAOYSA-N
Compound name
2-[4-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.16675 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.17403 183.8
[M+Na]+ 377.15597 190.0
[M-H]- 353.15947 182.4
[M+NH4]+ 372.20057 191.9
[M+K]+ 393.12991 183.4
[M+H-H2O]+ 337.16401 170.2
[M+HCOO]- 399.16495 193.3
[M+CH3COO]- 413.18060 209.4
[M+Na-2H]- 375.14142 183.0
[M]+ 354.16620 176.7
[M]- 354.16730 176.7
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.