CID 71195

Meprotixol

Structural Information

Molecular Formula
C19H23NO2S
SMILES
CN(C)CCCC1(C2=CC=CC=C2SC3=C1C=C(C=C3)OC)O
InChI
InChI=1S/C19H23NO2S/c1-20(2)12-6-11-19(21)15-7-4-5-8-17(15)23-18-10-9-14(22-3)13-16(18)19/h4-5,7-10,13,21H,6,11-12H2,1-3H3
InChIKey
LAYVFLWAVIGDLK-UHFFFAOYSA-N
Compound name
9-[3-(dimethylamino)propyl]-2-methoxythioxanthen-9-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

264
Patents

329.14496 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.152236 174.8
[M+Na]+ 352.134178 181.9
[M-H]- 328.137684 179.5
[M+NH4]+ 347.178783 193.3
[M+K]+ 368.108118 177.7
[M+H-H2O]+ 312.142220 167.7
[M+HCOO]- 374.143161 189.3
[M+CH3COO]- 388.158811 213.1
[M+Na-2H]- 350.119626 179.6
[M]+ 329.14441142 179.7
[M]- 329.14550858 179.7
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