CID 3040861

Brn 1161143

Structural Information

Molecular Formula
C18H20N2O2S2
SMILES
CCSCCNC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)OC
InChI
InChI=1S/C18H20N2O2S2/c1-3-23-11-10-19-18(21)20-14-6-4-5-7-16(14)24-17-9-8-13(22-2)12-15(17)20/h4-9,12H,3,10-11H2,1-2H3,(H,19,21)
InChIKey
SNFSRQFFDQYLPF-UHFFFAOYSA-N
Compound name
N-(2-ethylsulfanylethyl)-2-methoxyphenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.09662 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.10390 176.7
[M+Na]+ 383.08584 183.6
[M-H]- 359.08934 179.3
[M+NH4]+ 378.13044 190.8
[M+K]+ 399.05978 177.3
[M+H-H2O]+ 343.09388 169.4
[M+HCOO]- 405.09482 185.2
[M+CH3COO]- 419.11047 185.8
[M+Na-2H]- 381.07129 180.1
[M]+ 360.09607 181.6
[M]- 360.09717 181.6
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.