CID 3040849

Brn 1019837

Structural Information

Molecular Formula
C18H20N2OS2
SMILES
CC(C)SCCNC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C18H20N2OS2/c1-13(2)22-12-11-19-18(21)20-14-7-3-5-9-16(14)23-17-10-6-4-8-15(17)20/h3-10,13H,11-12H2,1-2H3,(H,19,21)
InChIKey
BEGSUTRZMXZGQO-UHFFFAOYSA-N
Compound name
N-(2-propan-2-ylsulfanylethyl)phenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.1017 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.10898 173.1
[M+Na]+ 367.09092 179.1
[M-H]- 343.09442 175.4
[M+NH4]+ 362.13552 187.6
[M+K]+ 383.06486 172.8
[M+H-H2O]+ 327.09896 166.0
[M+HCOO]- 389.09990 180.3
[M+CH3COO]- 403.11555 182.0
[M+Na-2H]- 365.07637 176.0
[M]+ 344.10115 175.6
[M]- 344.10225 175.6
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.