CID 3040856

Brn 1027388

Structural Information

Molecular Formula
C17H17ClN2OS2
SMILES
CCSCCNC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C17H17ClN2OS2/c1-2-22-10-9-19-17(21)20-13-5-3-4-6-15(13)23-16-8-7-12(18)11-14(16)20/h3-8,11H,2,9-10H2,1H3,(H,19,21)
InChIKey
BIWXMBLBCUBBGR-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-ethylsulfanylethyl)phenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.0471 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.05438 174.1
[M+Na]+ 387.03632 182.4
[M-H]- 363.03982 177.1
[M+NH4]+ 382.08092 189.2
[M+K]+ 403.01026 174.7
[M+H-H2O]+ 347.04436 168.3
[M+HCOO]- 409.04530 178.4
[M+CH3COO]- 423.06095 183.6
[M+Na-2H]- 385.02177 177.5
[M]+ 364.04655 179.4
[M]- 364.04765 179.4
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.