CID 3040862

Brn 1165211

Structural Information

Molecular Formula
C19H22N2O2S2
SMILES
CC(C)SCCNC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)OC
InChI
InChI=1S/C19H22N2O2S2/c1-13(2)24-11-10-20-19(22)21-15-6-4-5-7-17(15)25-18-9-8-14(23-3)12-16(18)21/h4-9,12-13H,10-11H2,1-3H3,(H,20,22)
InChIKey
WNMJDYZHMVZSAZ-UHFFFAOYSA-N
Compound name
2-methoxy-N-(2-propan-2-ylsulfanylethyl)phenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.11227 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.11955 181.2
[M+Na]+ 397.10149 187.1
[M-H]- 373.10499 183.5
[M+NH4]+ 392.14609 194.5
[M+K]+ 413.07543 181.2
[M+H-H2O]+ 357.10953 173.8
[M+HCOO]- 419.11047 188.2
[M+CH3COO]- 433.12612 219.1
[M+Na-2H]- 395.08694 183.2
[M]+ 374.11172 185.8
[M]- 374.11282 185.8
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.