CID 3040854

Brn 1027112

Structural Information

Molecular Formula
C21H26N2OS2
SMILES
CCCCCCSCCNC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C21H26N2OS2/c1-2-3-4-9-15-25-16-14-22-21(24)23-17-10-5-7-12-19(17)26-20-13-8-6-11-18(20)23/h5-8,10-13H,2-4,9,14-16H2,1H3,(H,22,24)
InChIKey
RRGWJQDPXQPXAQ-UHFFFAOYSA-N
Compound name
N-(2-hexylsulfanylethyl)phenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.14865 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.15593 185.7
[M+Na]+ 409.13787 197.4
[M+NH4]+ 404.18247 194.7
[M+K]+ 425.11181 184.4
[M-H]- 385.14137 189.6
[M+Na-2H]- 407.12332 190.7
[M]+ 386.14810 189.5
[M]- 386.14920 189.5
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.