CID 45039714

Methotrimeprazine sulfoxide

Structural Information

Molecular Formula
C19H24N2O2S
SMILES
C[C@H](CN1C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)OC)CN(C)C
InChI
InChI=1S/C19H24N2O2S/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)24(22)19-10-9-15(23-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-,24?/m0/s1
InChIKey
CUJAZGOWDHBZEI-LNYMIDHXSA-N
Compound name
(2S)-3-(2-methoxy-5-oxophenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

344.15585 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.16313 179.3
[M+Na]+ 367.14507 192.6
[M+NH4]+ 362.18967 188.1
[M+K]+ 383.11901 183.0
[M-H]- 343.14857 183.2
[M+Na-2H]- 365.13052 184.5
[M]+ 344.15530 182.9
[M]- 344.15640 182.9
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

No patent data available for this compound.