CID 3084057

Trimeprazine sulphoxide hydrochloride

Structural Information

Molecular Formula
C18H22N2OS
SMILES
CC(CN1C2=CC=CC=C2S(=O)C3=CC=CC=C31)CN(C)C
InChI
InChI=1S/C18H22N2OS/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)22(21)18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3
InChIKey
XZLXDYORQZVLKR-UHFFFAOYSA-N
Compound name
N,N,2-trimethyl-3-(5-oxophenothiazin-10-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

314.1453 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.15258 171.2
[M+Na]+ 337.13452 178.4
[M-H]- 313.13802 176.0
[M+NH4]+ 332.17912 187.6
[M+K]+ 353.10846 174.0
[M+H-H2O]+ 297.14256 163.1
[M+HCOO]- 359.14350 185.3
[M+CH3COO]- 373.15915 213.9
[M+Na-2H]- 335.11997 174.4
[M]+ 314.14475 175.0
[M]- 314.14585 175.0
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