CID 6449200

130689-02-0

Structural Information

Molecular Formula
C22H16OS
SMILES
C1/C(=C\C2=CC=C(C=C2)C3=CC=CC=C3)/C(=O)C4=CC=CC=C4S1
InChI
InChI=1S/C22H16OS/c23-22-19(15-24-21-9-5-4-8-20(21)22)14-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-14H,15H2/b19-14+
InChIKey
HRLXPTDQSWSQCZ-XMHGGMMESA-N
Compound name
(3Z)-3-[(4-phenylphenyl)methylidene]thiochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0922 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.09948 175.9
[M+Na]+ 351.08142 183.5
[M-H]- 327.08492 185.9
[M+NH4]+ 346.12602 190.9
[M+K]+ 367.05536 175.7
[M+H-H2O]+ 311.08946 167.0
[M+HCOO]- 373.09040 191.6
[M+CH3COO]- 387.10605 186.6
[M+Na-2H]- 349.06687 178.6
[M]+ 328.09165 174.3
[M]- 328.09275 174.3
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.