CID 6164192

331460-46-9

Structural Information

Molecular Formula
C24H16O3S
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)/C=C/C3=CC=C(C=C3)OC(=O)C4=CC=CS4
InChI
InChI=1S/C24H16O3S/c25-22(20-11-10-18-4-1-2-5-19(18)16-20)14-9-17-7-12-21(13-8-17)27-24(26)23-6-3-15-28-23/h1-16H/b14-9+
InChIKey
QIZHVBFYHMWNDK-NTEUORMPSA-N
Compound name
[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl] thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.082 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.08928 193.8
[M+Na]+ 407.07122 202.0
[M-H]- 383.07472 204.9
[M+NH4]+ 402.11582 208.1
[M+K]+ 423.04516 195.3
[M+H-H2O]+ 367.07926 185.6
[M+HCOO]- 429.08020 212.3
[M+CH3COO]- 443.09585 204.5
[M+Na-2H]- 405.05667 194.0
[M]+ 384.08145 198.6
[M]- 384.08255 198.6
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.