CID 3040860

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

Structural Information

Molecular Formula
C21H25ClN2OS2
SMILES
CCCCCCSCCNC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C21H25ClN2OS2/c1-2-3-4-7-13-26-14-12-23-21(25)24-17-8-5-6-9-19(17)27-20-11-10-16(22)15-18(20)24/h5-6,8-11,15H,2-4,7,12-14H2,1H3,(H,23,25)
InChIKey
CBNMMEXDPIIHTP-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-hexylsulfanylethyl)phenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.10968 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.11696 190.6
[M+Na]+ 443.09890 197.0
[M-H]- 419.10240 192.7
[M+NH4]+ 438.14350 203.3
[M+K]+ 459.07284 188.4
[M+H-H2O]+ 403.10694 183.9
[M+HCOO]- 465.10788 193.5
[M+CH3COO]- 479.12353 198.3
[M+Na-2H]- 441.08435 192.1
[M]+ 420.10913 197.1
[M]- 420.11023 197.1
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.