CID 77526

3926-66-7

Structural Information

Molecular Formula
C17H19ClN2OS
SMILES
CN(C)CCCN1C2=CC=CC=C2SC3=C1C(=C(C=C3)Cl)O
InChI
InChI=1S/C17H19ClN2OS/c1-19(2)10-5-11-20-13-6-3-4-7-14(13)22-15-9-8-12(18)17(21)16(15)20/h3-4,6-9,21H,5,10-11H2,1-2H3
InChIKey
FWNNYTKAPJEWGR-UHFFFAOYSA-N
Compound name
2-chloro-10-[3-(dimethylamino)propyl]phenothiazin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 174.4
[M+Na]+ 357.07989 189.2
[M+NH4]+ 352.12449 184.4
[M+K]+ 373.05383 178.1
[M-H]- 333.08339 178.8
[M+Na-2H]- 355.06534 180.4
[M]+ 334.09012 178.7
[M]- 334.09122 178.7
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

patents stripe