CID 178145

Tixadil

Structural Information

Molecular Formula
C24H25NS
SMILES
CC(CC1=CC=CC=C1)NCCC2C3=CC=CC=C3SC4=CC=CC=C24
InChI
InChI=1S/C24H25NS/c1-18(17-19-9-3-2-4-10-19)25-16-15-20-21-11-5-7-13-23(21)26-24-14-8-6-12-22(20)24/h2-14,18,20,25H,15-17H2,1H3
InChIKey
OSXOGVJHQHLKFO-UHFFFAOYSA-N
Compound name
1-phenyl-N-[2-(9H-thioxanthen-9-yl)ethyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

359.17078 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17806 183.1
[M+Na]+ 382.16000 188.0
[M-H]- 358.16350 189.8
[M+NH4]+ 377.20460 197.5
[M+K]+ 398.13394 180.5
[M+H-H2O]+ 342.16804 174.1
[M+HCOO]- 404.16898 197.1
[M+CH3COO]- 418.18463 192.1
[M+Na-2H]- 380.14545 187.0
[M]+ 359.17023 183.3
[M]- 359.17133 183.3
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.