CID 19828

3930-47-0

Structural Information

Molecular Formula
C17H19ClN2OS
SMILES
CN(C)CCCN1C2=CC=CC=C2SC3=CC(=C(C=C31)Cl)O
InChI
InChI=1S/C17H19ClN2OS/c1-19(2)8-5-9-20-13-6-3-4-7-16(13)22-17-11-15(21)12(18)10-14(17)20/h3-4,6-7,10-11,21H,5,8-9H2,1-2H3
InChIKey
SOUCXKDIHOVGPW-UHFFFAOYSA-N
Compound name
2-chloro-10-[3-(dimethylamino)propyl]phenothiazin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.09067 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09795 172.7
[M+Na]+ 357.07989 181.6
[M-H]- 333.08339 176.5
[M+NH4]+ 352.12449 189.0
[M+K]+ 373.05383 175.4
[M+H-H2O]+ 317.08793 166.1
[M+HCOO]- 379.08887 182.0
[M+CH3COO]- 393.10452 183.3
[M+Na-2H]- 355.06534 176.1
[M]+ 334.09012 178.3
[M]- 334.09122 178.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.