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
1
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]+ 301.13692 166.6
[M+Na]+ 323.11886 174.0
[M-H]- 299.12236 170.2
[M+NH4]+ 318.16346 183.1
[M+K]+ 339.09280 169.0
[M+H-H2O]+ 283.12690 159.0
[M+HCOO]- 345.12784 180.5
[M+CH3COO]- 359.14349 177.2
[M+Na-2H]- 321.10431 171.1
[M]+ 300.12909 169.6
[M]- 300.13019 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.