CID 275489

Nsc122361

Structural Information

Molecular Formula
C20H24N2O4S
SMILES
CC1CCCC2=C1C(=O)N(C2=O)CSCN3C(=O)C4=C(C3=O)C(CCC4)C
InChI
InChI=1S/C20H24N2O4S/c1-11-5-3-7-13-15(11)19(25)21(17(13)23)9-27-10-22-18(24)14-8-4-6-12(2)16(14)20(22)26/h11-12H,3-10H2,1-2H3
InChIKey
HHGRDQOYRMWVNL-UHFFFAOYSA-N
Compound name
4-methyl-2-[(4-methyl-1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methylsulfanylmethyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1457 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.15298 194.1
[M+Na]+ 411.13492 202.2
[M-H]- 387.13842 199.7
[M+NH4]+ 406.17952 209.7
[M+K]+ 427.10886 196.9
[M+H-H2O]+ 371.14296 188.5
[M+HCOO]- 433.14390 202.7
[M+CH3COO]- 447.15955 221.5
[M+Na-2H]- 409.12037 186.5
[M]+ 388.14515 195.9
[M]- 388.14625 195.9
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.