CID 547559

Promazine sulfoxide

Structural Information

Molecular Formula
C17H20N2OS
SMILES
CN(C)CCCN1C2=CC=CC=C2S(=O)C3=CC=CC=C31
InChI
InChI=1S/C17H20N2OS/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)21(20)17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3
InChIKey
KSHDHDWHIWBNHA-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(5-oxophenothiazin-10-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

300.12964 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.13692 167.2
[M+Na]+ 323.11886 181.4
[M+NH4]+ 318.16346 177.0
[M+K]+ 339.09280 170.7
[M-H]- 299.12236 171.8
[M+Na-2H]- 321.10431 173.8
[M]+ 300.12909 171.2
[M]- 300.13019 171.2
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

patents stripe