CID 154824

180388-71-0

Structural Information

Molecular Formula
C23H17ClN2O2S
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl
InChI
InChI=1S/C23H17ClN2O2S/c24-15-10-11-21-19(14-15)25(18-8-3-4-9-20(18)29-21)12-5-13-26-22(27)16-6-1-2-7-17(16)23(26)28/h1-4,6-11,14H,5,12-13H2
InChIKey
MXHGUJMFTXTEAV-UHFFFAOYSA-N
Compound name
2-[3-(2-chlorophenothiazin-10-yl)propyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

420.06992 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.07720 199.0
[M+Na]+ 443.05914 210.1
[M-H]- 419.06264 205.7
[M+NH4]+ 438.10374 213.0
[M+K]+ 459.03308 201.4
[M+H-H2O]+ 403.06718 190.5
[M+HCOO]- 465.06812 206.0
[M+CH3COO]- 479.08377 208.3
[M+Na-2H]- 441.04459 199.2
[M]+ 420.06937 204.7
[M]- 420.07047 204.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.