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]+ 301.13692 164.7
[M+Na]+ 323.11886 171.0
[M-H]- 299.12236 168.0
[M+NH4]+ 318.16346 180.7
[M+K]+ 339.09280 161.2
[M+H-H2O]+ 283.12690 161.7
[M+HCOO]- 345.12784 178.5
[M+CH3COO]- 359.14349 199.7
[M+Na-2H]- 321.10431 173.6
[M]+ 300.12909 164.4
[M]- 300.13019 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.