CID 115964

N 754

Structural Information

Molecular Formula
C22H26N2OS
SMILES
C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=CC=CC=C42)CCO
InChI
InChI=1S/C22H26N2OS/c25-17-16-24-14-12-23(13-15-24)11-5-8-18-19-6-1-3-9-21(19)26-22-10-4-2-7-20(18)22/h1-4,6-10,25H,5,11-17H2
InChIKey
SGLHABDMFGGBEE-UHFFFAOYSA-N
Compound name
2-[4-(3-thioxanthen-9-ylidenepropyl)piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

366.17657 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.18385 187.2
[M+Na]+ 389.16579 201.1
[M+NH4]+ 384.21039 196.4
[M+K]+ 405.13973 189.0
[M-H]- 365.16929 192.0
[M+Na-2H]- 387.15124 193.1
[M]+ 366.17602 191.1
[M]- 366.17712 191.1
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