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 185.9
[M+Na]+ 389.16579 190.5
[M-H]- 365.16929 188.1
[M+NH4]+ 384.21039 197.1
[M+K]+ 405.13973 182.4
[M+H-H2O]+ 349.17383 176.1
[M+HCOO]- 411.17477 192.8
[M+CH3COO]- 425.19042 192.9
[M+Na-2H]- 387.15124 187.3
[M]+ 366.17602 182.7
[M]- 366.17712 182.7
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