CID 129318744

Trimeprazine n-oxide hydrochloride

Structural Information

Molecular Formula
C18H22N2OS
SMILES
CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)C[N+](C)(C)[O-]
InChI
InChI=1S/C18H22N2OS/c1-14(13-20(2,3)21)12-19-15-8-4-6-10-17(15)22-18-11-7-5-9-16(18)19/h4-11,14H,12-13H2,1-3H3
InChIKey
TYLDBHLLMPJPCR-UHFFFAOYSA-N
Compound name
N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1453 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.15258 168.5
[M+Na]+ 337.13452 183.4
[M+NH4]+ 332.17912 179.0
[M+K]+ 353.10846 175.1
[M-H]- 313.13802 173.9
[M+Na-2H]- 335.11997 175.5
[M]+ 314.14475 172.9
[M]- 314.14585 172.9
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.