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]+ 335.097946 172.7
[M+Na]+ 357.079888 181.6
[M-H]- 333.083394 176.5
[M+NH4]+ 352.124493 189.0
[M+K]+ 373.053828 175.4
[M+H-H2O]+ 317.087930 166.1
[M+HCOO]- 379.088871 182.0
[M+CH3COO]- 393.104521 183.3
[M+Na-2H]- 355.065336 176.1
[M]+ 334.09012142 178.3
[M]- 334.09121858 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.