CID 265227

502485-21-4

Structural Information

Molecular Formula
C26H22O2S2
SMILES
COC1=C(C=C(C=C1)C2=CC=CC=C2)SSC3=C(C=CC(=C3)C4=CC=CC=C4)OC
InChI
InChI=1S/C26H22O2S2/c1-27-23-15-13-21(19-9-5-3-6-10-19)17-25(23)29-30-26-18-22(14-16-24(26)28-2)20-11-7-4-8-12-20/h3-18H,1-2H3
InChIKey
ZWKDJUBCFDGBHL-UHFFFAOYSA-N
Compound name
1-methoxy-2-[(2-methoxy-5-phenylphenyl)disulfanyl]-4-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.1061 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.11338 200.9
[M+Na]+ 453.09532 209.0
[M-H]- 429.09882 212.8
[M+NH4]+ 448.13992 211.1
[M+K]+ 469.06926 200.5
[M+H-H2O]+ 413.10336 190.8
[M+HCOO]- 475.10430 214.1
[M+CH3COO]- 489.11995 210.2
[M+Na-2H]- 451.08077 201.0
[M]+ 430.10555 205.7
[M]- 430.10665 205.7
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.