CID 3040859

2-chloro-n-(2-(pentylthio)ethyl)-10h-phenothiazine-10-carboxamide

Structural Information

Molecular Formula
C20H23ClN2OS2
SMILES
CCCCCSCCNC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C20H23ClN2OS2/c1-2-3-6-12-25-13-11-22-20(24)23-16-7-4-5-8-18(16)26-19-10-9-15(21)14-17(19)23/h4-5,7-10,14H,2-3,6,11-13H2,1H3,(H,22,24)
InChIKey
XSWRTUOXLFKEGN-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-pentylsulfanylethyl)phenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.09402 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.10130 186.5
[M+Na]+ 429.08324 193.3
[M-H]- 405.08674 188.8
[M+NH4]+ 424.12784 199.8
[M+K]+ 445.05718 185.0
[M+H-H2O]+ 389.09128 180.0
[M+HCOO]- 451.09222 189.8
[M+CH3COO]- 465.10787 194.7
[M+Na-2H]- 427.06869 188.5
[M]+ 406.09347 192.7
[M]- 406.09457 192.7
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

No patent data available for this compound.