CID 3040865

Brn 1026340

Structural Information

Molecular Formula
C20H24N2OS2
SMILES
CCCCSCCCNC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C20H24N2OS2/c1-2-3-14-24-15-8-13-21-20(23)22-16-9-4-6-11-18(16)25-19-12-7-5-10-17(19)22/h4-7,9-12H,2-3,8,13-15H2,1H3,(H,21,23)
InChIKey
OSVSITIZKPGWGG-UHFFFAOYSA-N
Compound name
N-(3-butylsulfanylpropyl)phenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.133 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.14028 180.9
[M+Na]+ 395.12222 186.4
[M-H]- 371.12572 182.8
[M+NH4]+ 390.16682 194.3
[M+K]+ 411.09616 179.1
[M+H-H2O]+ 355.13026 173.2
[M+HCOO]- 417.13120 188.6
[M+CH3COO]- 431.14685 189.1
[M+Na-2H]- 393.10767 183.8
[M]+ 372.13245 184.6
[M]- 372.13355 184.6
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.