CID 6482895

[4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methanol

Structural Information

Molecular Formula
C22H21F3N4O
SMILES
C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NC(=CN=C3)C4=CC=C(C=C4)CO
InChI
InChI=1S/C22H21F3N4O/c23-22(24,25)18-2-1-3-19(12-18)28-8-10-29(11-9-28)21-14-26-13-20(27-21)17-6-4-16(15-30)5-7-17/h1-7,12-14,30H,8-11,15H2
InChIKey
YIDSXONPXNFTGN-UHFFFAOYSA-N
Compound name
[4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

414.16675 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.17403 202.6
[M+Na]+ 437.15597 208.8
[M-H]- 413.15947 203.8
[M+NH4]+ 432.20057 205.6
[M+K]+ 453.12991 199.6
[M+H-H2O]+ 397.16401 186.3
[M+HCOO]- 459.16495 210.2
[M+CH3COO]- 473.18060 207.8
[M+Na-2H]- 435.14142 203.5
[M]+ 414.16620 193.9
[M]- 414.16730 193.9
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.