CID 3040943

Brn 1159271

Structural Information

Molecular Formula
C17H18N2O2S2
SMILES
COC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)NCCSC
InChI
InChI=1S/C17H18N2O2S2/c1-21-12-7-8-16-14(11-12)19(17(20)18-9-10-22-2)13-5-3-4-6-15(13)23-16/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKey
UPNGBHXCFZCJMB-UHFFFAOYSA-N
Compound name
2-methoxy-N-(2-methylsulfanylethyl)phenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.08096 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.08824 172.6
[M+Na]+ 369.07018 179.9
[M-H]- 345.07368 175.4
[M+NH4]+ 364.11478 187.2
[M+K]+ 385.04412 173.9
[M+H-H2O]+ 329.07822 165.5
[M+HCOO]- 391.07916 181.4
[M+CH3COO]- 405.09481 182.1
[M+Na-2H]- 367.05563 176.4
[M]+ 346.08041 177.1
[M]- 346.08151 177.1
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.