CID 1715688

328263-25-8

Structural Information

Molecular Formula
C30H22O4S
SMILES
C1=CC=C(C=C1)/C=C\C(=O)OC2=CC=C(C=C2)SC3=CC=C(C=C3)OC(=O)/C=C\C4=CC=CC=C4
InChI
InChI=1S/C30H22O4S/c31-29(21-11-23-7-3-1-4-8-23)33-25-13-17-27(18-14-25)35-28-19-15-26(16-20-28)34-30(32)22-12-24-9-5-2-6-10-24/h1-22H/b21-11-,22-12-
InChIKey
HRZATAJDHJBETK-IINORCHSSA-N
Compound name
[4-[4-[(Z)-3-phenylprop-2-enoyl]oxyphenyl]sulfanylphenyl] (Z)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.12387 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.13115 219.6
[M+Na]+ 501.11309 223.8
[M-H]- 477.11659 230.8
[M+NH4]+ 496.15769 226.0
[M+K]+ 517.08703 216.1
[M+H-H2O]+ 461.12113 207.9
[M+HCOO]- 523.12207 235.4
[M+CH3COO]- 537.13772 231.4
[M+Na-2H]- 499.09854 218.1
[M]+ 478.12332 222.3
[M]- 478.12442 222.3
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.