CID 3040847

Brn 1014738

Structural Information

Molecular Formula
C17H18N2OS2
SMILES
CCSCCNC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C17H18N2OS2/c1-2-21-12-11-18-17(20)19-13-7-3-5-9-15(13)22-16-10-6-4-8-14(16)19/h3-10H,2,11-12H2,1H3,(H,18,20)
InChIKey
ORNYAUQZBQFDOT-UHFFFAOYSA-N
Compound name
N-(2-ethylsulfanylethyl)phenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.08606 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.09334 168.5
[M+Na]+ 353.07528 175.5
[M-H]- 329.07878 171.1
[M+NH4]+ 348.11988 183.7
[M+K]+ 369.04922 168.8
[M+H-H2O]+ 313.08332 161.5
[M+HCOO]- 375.08426 177.3
[M+CH3COO]- 389.09991 178.0
[M+Na-2H]- 351.06073 172.8
[M]+ 330.08551 171.3
[M]- 330.08661 171.3
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.