CID 218551

Phthaloyl apd

Structural Information

Molecular Formula
C22H20N2O4S2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSSCCCN3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C22H20N2O4S2/c25-19-15-7-1-2-8-16(15)20(26)23(19)11-5-13-29-30-14-6-12-24-21(27)17-9-3-4-10-18(17)22(24)28/h1-4,7-10H,5-6,11-14H2
InChIKey
DYBJQSRUMXELQW-UHFFFAOYSA-N
Compound name
2-[3-[3-(1,3-dioxoisoindol-2-yl)propyldisulfanyl]propyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.08646 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.09374 204.2
[M+Na]+ 463.07568 214.2
[M-H]- 439.07918 210.2
[M+NH4]+ 458.12028 218.0
[M+K]+ 479.04962 207.1
[M+H-H2O]+ 423.08372 198.6
[M+HCOO]- 485.08466 213.3
[M+CH3COO]- 499.10031 213.3
[M+Na-2H]- 461.06113 199.9
[M]+ 440.08591 212.8
[M]- 440.08701 212.8
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.