CID 129318322

Levomepromazine sulphone hydrochloride

Structural Information

Molecular Formula
C19H24N2O3S
SMILES
C[C@@H](CN1C2=CC=CC=C2S(=O)(=O)C3=C1C=C(C=C3)OC)CN(C)C
InChI
InChI=1S/C19H24N2O3S/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)25(22,23)19-10-9-15(24-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-/m1/s1
InChIKey
IGWYJFORTSLJLI-CQSZACIVSA-N
Compound name
(2R)-3-(2-methoxy-5,5-dioxophenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.15076 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.15804 181.2
[M+Na]+ 383.13998 189.3
[M-H]- 359.14348 186.1
[M+NH4]+ 378.18458 197.6
[M+K]+ 399.11392 185.9
[M+H-H2O]+ 343.14802 173.2
[M+HCOO]- 405.14896 195.2
[M+CH3COO]- 419.16461 221.1
[M+Na-2H]- 381.12543 184.9
[M]+ 360.15021 188.2
[M]- 360.15131 188.2
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.