CID 3040853

Brn 1027124

Structural Information

Molecular Formula
C21H26N2OS2
SMILES
CCCCCSCCCNC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C21H26N2OS2/c1-2-3-8-15-25-16-9-14-22-21(24)23-17-10-4-6-12-19(17)26-20-13-7-5-11-18(20)23/h4-7,10-13H,2-3,8-9,14-16H2,1H3,(H,22,24)
InChIKey
FTGDOYJPIYRHJM-UHFFFAOYSA-N
Compound name
N-(3-pentylsulfanylpropyl)phenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.14865 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.155926 184.9
[M+Na]+ 409.137868 190.0
[M-H]- 385.141374 186.6
[M+NH4]+ 404.182473 197.8
[M+K]+ 425.111808 182.5
[M+H-H2O]+ 369.145910 177.0
[M+HCOO]- 431.146851 192.4
[M+CH3COO]- 445.162501 192.7
[M+Na-2H]- 407.123316 187.4
[M]+ 386.14810142 188.9
[M]- 386.14919858 188.9
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.