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

7
Patents

314.1453 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.152576 171.2
[M+Na]+ 337.134518 178.4
[M-H]- 313.138024 176.0
[M+NH4]+ 332.179123 187.6
[M+K]+ 353.108458 174.0
[M+H-H2O]+ 297.142560 163.1
[M+HCOO]- 359.143501 185.3
[M+CH3COO]- 373.159151 213.9
[M+Na-2H]- 335.119966 174.4
[M]+ 314.14475142 175.0
[M]- 314.14584858 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