CID 4403908

882748-95-0

Structural Information

Molecular Formula
C28H26O2S2
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)CCSCCSCCC(=O)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C28H26O2S2/c29-27(25-11-9-21-5-1-3-7-23(21)19-25)13-15-31-17-18-32-16-14-28(30)26-12-10-22-6-2-4-8-24(22)20-26/h1-12,19-20H,13-18H2
InChIKey
ZFGYCONKUQYZPB-UHFFFAOYSA-N
Compound name
1-naphthalen-2-yl-3-[2-(3-naphthalen-2-yl-3-oxopropyl)sulfanylethylsulfanyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.13742 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.14470 207.8
[M+Na]+ 481.12664 213.4
[M-H]- 457.13014 213.9
[M+NH4]+ 476.17124 218.3
[M+K]+ 497.10058 204.7
[M+H-H2O]+ 441.13468 198.7
[M+HCOO]- 503.13562 216.6
[M+CH3COO]- 517.15127 215.0
[M+Na-2H]- 479.11209 209.3
[M]+ 458.13687 214.2
[M]- 458.13797 214.2
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.