CID 45576

63938-35-2

Structural Information

Molecular Formula
C22H20N2O4S2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCSCCSCCN3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C22H20N2O4S2/c25-19-15-5-1-2-6-16(15)20(26)23(19)9-11-29-13-14-30-12-10-24-21(27)17-7-3-4-8-18(17)22(24)28/h1-8H,9-14H2
InChIKey
ZPFJVFACRJSQPC-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]ethylsulfanyl]ethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.08646 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.09374 204.8
[M+Na]+ 463.07568 215.8
[M+NH4]+ 458.12028 211.4
[M+K]+ 479.04962 207.6
[M-H]- 439.07918 206.8
[M+Na-2H]- 461.06113 206.1
[M]+ 440.08591 207.7
[M]- 440.08701 207.7
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.