CID 3040845

Brn 1012756

Structural Information

Molecular Formula
C16H16N2OS2
SMILES
CSCCNC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C16H16N2OS2/c1-20-11-10-17-16(19)18-12-6-2-4-8-14(12)21-15-9-5-3-7-13(15)18/h2-9H,10-11H2,1H3,(H,17,19)
InChIKey
WGFLZYVZLXNDCX-UHFFFAOYSA-N
Compound name
N-(2-methylsulfanylethyl)phenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0704 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.07768 164.4
[M+Na]+ 339.05962 171.8
[M-H]- 315.06312 167.2
[M+NH4]+ 334.10422 180.2
[M+K]+ 355.03356 165.3
[M+H-H2O]+ 299.06766 157.5
[M+HCOO]- 361.06860 173.5
[M+CH3COO]- 375.08425 174.3
[M+Na-2H]- 337.04507 169.1
[M]+ 316.06985 166.9
[M]- 316.07095 166.9
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.