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 184.9
[M+NH4]+ 332.17912 180.8
[M+K]+ 353.10846 174.8
[M-H]- 313.13802 175.6
[M+Na-2H]- 335.11997 177.4
[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