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]+ 387.122696 190.4
[M+Na]+ 409.104638 195.9
[M-H]- 385.108144 199.8
[M+NH4]+ 404.149243 199.6
[M+K]+ 425.078578 192.2
[M+H-H2O]+ 369.112680 180.3
[M+HCOO]- 431.113621 206.2
[M+CH3COO]- 445.129271 219.2
[M+Na-2H]- 407.090086 191.7
[M]+ 386.11487142 189.9
[M]- 386.11596858 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.