CID 63032

Promethazine sulfoxide

Structural Information

Molecular Formula
C17H20N2OS
SMILES
CC(CN1C2=CC=CC=C2S(=O)C3=CC=CC=C31)N(C)C
InChI
InChI=1S/C17H20N2OS/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)21(20)17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
InChIKey
OWTCLFIFAFHQIX-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(5-oxophenothiazin-10-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

20
Patents

300.12964 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.13692 166.7
[M+Na]+ 323.11886 174.3
[M-H]- 299.12236 171.7
[M+NH4]+ 318.16346 183.7
[M+K]+ 339.09280 170.2
[M+H-H2O]+ 283.12690 158.8
[M+HCOO]- 345.12784 181.1
[M+CH3COO]- 359.14349 177.8
[M+Na-2H]- 321.10431 170.4
[M]+ 300.12909 170.2
[M]- 300.13019 170.2
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.