CID 385910

Nsc677372

Structural Information

Molecular Formula
C24H18O5
SMILES
C1=CC=C(C=C1)C2C(C(=O)C3=CC=CC(=C3O2)CC(=O)O)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H18O5/c25-19(26)14-17-12-7-13-18-22(28)20(21(27)15-8-3-1-4-9-15)24(29-23(17)18)16-10-5-2-6-11-16/h1-13,20,24H,14H2,(H,25,26)
InChIKey
YELWIFSXUUARFF-UHFFFAOYSA-N
Compound name
2-(3-benzoyl-4-oxo-2-phenyl-2,3-dihydrochromen-8-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.11542 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.12270 190.4
[M+Na]+ 409.10464 195.9
[M-H]- 385.10814 199.8
[M+NH4]+ 404.14924 199.6
[M+K]+ 425.07858 192.2
[M+H-H2O]+ 369.11268 180.3
[M+HCOO]- 431.11362 206.2
[M+CH3COO]- 445.12927 219.2
[M+Na-2H]- 407.09009 191.7
[M]+ 386.11487 189.9
[M]- 386.11597 189.9
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.