CID 3040858

Brn 1033131

Structural Information

Molecular Formula
C19H21ClN2OS2
SMILES
CCCCSCCNC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C19H21ClN2OS2/c1-2-3-11-24-12-10-21-19(23)22-15-6-4-5-7-17(15)25-18-9-8-14(20)13-16(18)22/h4-9,13H,2-3,10-12H2,1H3,(H,21,23)
InChIKey
JFHSXZZGQVJROO-UHFFFAOYSA-N
Compound name
N-(2-butylsulfanylethyl)-2-chlorophenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.07837 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.08565 182.4
[M+Na]+ 415.06759 189.7
[M-H]- 391.07109 185.0
[M+NH4]+ 410.11219 196.3
[M+K]+ 431.04153 181.6
[M+H-H2O]+ 375.07563 176.2
[M+HCOO]- 437.07657 186.0
[M+CH3COO]- 451.09222 191.0
[M+Na-2H]- 413.05304 184.8
[M]+ 392.07782 188.3
[M]- 392.07892 188.3
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.