CID 67569

3-hydroxypromazine

Structural Information

Molecular Formula
C17H20N2OS
SMILES
CN(C)CCCN1C2=C(C=C(C=C2)O)SC3=CC=CC=C31
InChI
InChI=1S/C17H20N2OS/c1-18(2)10-5-11-19-14-6-3-4-7-16(14)21-17-12-13(20)8-9-15(17)19/h3-4,6-9,12,20H,5,10-11H2,1-2H3
InChIKey
FCWHSDRYYOAXGG-UHFFFAOYSA-N
Compound name
10-[3-(dimethylamino)propyl]phenothiazin-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

0
Patents

300.12964 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.136916 166.6
[M+Na]+ 323.118858 174.0
[M-H]- 299.122364 170.2
[M+NH4]+ 318.163463 183.1
[M+K]+ 339.092798 169.0
[M+H-H2O]+ 283.126900 159.0
[M+HCOO]- 345.127841 180.5
[M+CH3COO]- 359.143491 177.2
[M+Na-2H]- 321.104306 171.1
[M]+ 300.12909142 169.6
[M]- 300.13018858 169.6
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.