CID 45575

63938-34-1

Structural Information

Molecular Formula
C26H26O2S2
SMILES
C1=CC=C2C=C(C=CC2=C1)OCCSCCSCCOC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C26H26O2S2/c1-3-7-23-19-25(11-9-21(23)5-1)27-13-15-29-17-18-30-16-14-28-26-12-10-22-6-2-4-8-24(22)20-26/h1-12,19-20H,13-18H2
InChIKey
MGMKTHZAZTYTRH-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-naphthalen-2-yloxyethylsulfanyl)ethylsulfanyl]ethoxy]naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.13742 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.14470 199.2
[M+Na]+ 457.12664 206.3
[M-H]- 433.13014 205.8
[M+NH4]+ 452.17124 211.3
[M+K]+ 473.10058 197.9
[M+H-H2O]+ 417.13468 190.1
[M+HCOO]- 479.13562 210.7
[M+CH3COO]- 493.15127 207.7
[M+Na-2H]- 455.11209 203.5
[M]+ 434.13687 207.4
[M]- 434.13797 207.4
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.