CID 3040857

Brn 1029430

Structural Information

Molecular Formula
C18H19ClN2OS2
SMILES
CC(C)SCCNC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C18H19ClN2OS2/c1-12(2)23-10-9-20-18(22)21-14-5-3-4-6-16(14)24-17-8-7-13(19)11-15(17)21/h3-8,11-12H,9-10H2,1-2H3,(H,20,22)
InChIKey
BFXFWLXETAEFND-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-propan-2-ylsulfanylethyl)phenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.06274 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.07002 178.1
[M+Na]+ 401.05196 185.5
[M-H]- 377.05546 180.9
[M+NH4]+ 396.09656 192.5
[M+K]+ 417.02590 178.1
[M+H-H2O]+ 361.06000 172.3
[M+HCOO]- 423.06094 181.0
[M+CH3COO]- 437.07659 187.1
[M+Na-2H]- 399.03741 180.2
[M]+ 378.06219 183.2
[M]- 378.06329 183.2
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.