CID 23275749

Promazine-n-oxide

Structural Information

Molecular Formula
C17H20N2OS
SMILES
C[N+](C)(CCCN1C2=CC=CC=C2SC3=CC=CC=C31)[O-]
InChI
InChI=1S/C17H20N2OS/c1-19(2,20)13-7-12-18-14-8-3-5-10-16(14)21-17-11-6-4-9-15(17)18/h3-6,8-11H,7,12-13H2,1-2H3
InChIKey
GZWABPMNIWJSFO-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.12964 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.136916 164.7
[M+Na]+ 323.118858 171.0
[M-H]- 299.122364 168.0
[M+NH4]+ 318.163463 180.7
[M+K]+ 339.092798 161.2
[M+H-H2O]+ 283.126900 161.7
[M+HCOO]- 345.127841 178.5
[M+CH3COO]- 359.143491 199.7
[M+Na-2H]- 321.104306 173.6
[M]+ 300.12909142 164.4
[M]- 300.13018858 164.4
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.