CID 478592

22724-18-1

Structural Information

Molecular Formula
C17H17ClN2OS
SMILES
CC(=O)NCCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C17H17ClN2OS/c1-12(21)19-9-4-10-20-14-5-2-3-6-16(14)22-17-8-7-13(18)11-15(17)20/h2-3,5-8,11H,4,9-10H2,1H3,(H,19,21)
InChIKey
QZEAJJHJTPPDMU-UHFFFAOYSA-N
Compound name
N-[3-(2-chlorophenothiazin-10-yl)propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

332.075 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.08228 171.8
[M+Na]+ 355.06422 180.2
[M-H]- 331.06772 175.3
[M+NH4]+ 350.10882 187.9
[M+K]+ 371.03816 173.3
[M+H-H2O]+ 315.07226 165.1
[M+HCOO]- 377.07320 181.4
[M+CH3COO]- 391.08885 182.1
[M+Na-2H]- 353.04967 175.9
[M]+ 332.07445 176.2
[M]- 332.07555 176.2
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.