CID 353753

Nsc602862

Structural Information

Molecular Formula
C18H15ClN2O2S
SMILES
CC1=CC2=C(C=C1)NC(=O)C23N(C(=O)CCS3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H15ClN2O2S/c1-11-2-7-15-14(10-11)18(17(23)20-15)21(16(22)8-9-24-18)13-5-3-12(19)4-6-13/h2-7,10H,8-9H2,1H3,(H,20,23)
InChIKey
PNZMLDZZBBNRJP-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-5'-methylspiro[1,3-thiazinane-2,3'-1H-indole]-2',4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.0543 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.06158 181.2
[M+Na]+ 381.04352 191.9
[M-H]- 357.04702 187.3
[M+NH4]+ 376.08812 197.5
[M+K]+ 397.01746 184.0
[M+H-H2O]+ 341.05156 174.1
[M+HCOO]- 403.05250 187.7
[M+CH3COO]- 417.06815 191.3
[M+Na-2H]- 379.02897 180.9
[M]+ 358.05375 181.5
[M]- 358.05485 181.5
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.