CID 6105084

Nsc 294771

Structural Information

Molecular Formula
C30H22O2S2
SMILES
C1=CC=C(C=C1)/C(=C/C(=O)C2=CC=CC=C2)/SS/C(=C\C(=O)C3=CC=CC=C3)/C4=CC=CC=C4
InChI
InChI=1S/C30H22O2S2/c31-27(23-13-5-1-6-14-23)21-29(25-17-9-3-10-18-25)33-34-30(26-19-11-4-12-20-26)22-28(32)24-15-7-2-8-16-24/h1-22H/b29-21-,30-22-
InChIKey
RDQLJLYLKAZUSR-DHQAUHHZSA-N
Compound name
(Z)-3-[[(Z)-3-oxo-1,3-diphenylprop-1-enyl]disulfanyl]-1,3-diphenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.1061 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.11338 215.8
[M+Na]+ 501.09532 218.3
[M-H]- 477.09882 225.5
[M+NH4]+ 496.13992 222.1
[M+K]+ 517.06926 209.0
[M+H-H2O]+ 461.10336 205.5
[M+HCOO]- 523.10430 224.2
[M+CH3COO]- 537.11995 221.5
[M+Na-2H]- 499.08077 213.1
[M]+ 478.10555 215.2
[M]- 478.10665 215.2
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.