CID 6475000

Schembl11504566

Structural Information

Molecular Formula
C19H16OS
SMILES
C1/C(=C\C2=CC=CC=C2)/C(=O)/C(=C\C3=CC=CC=C3)/CS1
InChI
InChI=1S/C19H16OS/c20-19-17(11-15-7-3-1-4-8-15)13-21-14-18(19)12-16-9-5-2-6-10-16/h1-12H,13-14H2/b17-11-,18-12+
InChIKey
QVYZIRHMCZTVNT-MJZABRMRSA-N
Compound name
(3E,5Z)-3,5-dibenzylidenethian-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

292.0922 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09948 167.5
[M+Na]+ 315.08142 173.6
[M-H]- 291.08492 176.4
[M+NH4]+ 310.12602 183.0
[M+K]+ 331.05536 166.4
[M+H-H2O]+ 275.08946 159.3
[M+HCOO]- 337.09040 183.3
[M+CH3COO]- 351.10605 178.2
[M+Na-2H]- 313.06687 168.2
[M]+ 292.09165 163.7
[M]- 292.09275 163.7
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

patents stripe