CID 68763

Terciprazine

Structural Information

Molecular Formula
C22H29F3N2O2
SMILES
C#CC1(CCCCC1)OCC(CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)O
InChI
InChI=1S/C22H29F3N2O2/c1-2-21(9-4-3-5-10-21)29-17-20(28)16-26-11-13-27(14-12-26)19-8-6-7-18(15-19)22(23,24)25/h1,6-8,15,20,28H,3-5,9-14,16-17H2
InChIKey
SDKXUWMRKYQIFU-UHFFFAOYSA-N
Compound name
1-(1-ethynylcyclohexyl)oxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

36
Patents

410.2181 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.225376 194.2
[M+Na]+ 433.207318 198.4
[M-H]- 409.210824 191.0
[M+NH4]+ 428.251923 200.7
[M+K]+ 449.181258 189.8
[M+H-H2O]+ 393.215360 175.8
[M+HCOO]- 455.216301 194.9
[M+CH3COO]- 469.231951 223.6
[M+Na-2H]- 431.192766 191.1
[M]+ 410.21755142 178.1
[M]- 410.21864858 178.1
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

patents stripe