CID 77525

2-hydroxypromazine

Structural Information

Molecular Formula
C17H20N2OS
SMILES
CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)O
InChI
InChI=1S/C17H20N2OS/c1-18(2)10-5-11-19-14-6-3-4-7-16(14)21-17-9-8-13(20)12-15(17)19/h3-4,6-9,12,20H,5,10-11H2,1-2H3
InChIKey
YMVFQWULFRMLRA-UHFFFAOYSA-N
Compound name
10-[3-(dimethylamino)propyl]phenothiazin-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
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

patents stripe