CID 15525998

Chembl265201

Structural Information

Molecular Formula
C28H23NO4
SMILES
CCC(=O)OC1=C(C2=C(C=C1)C(=CC(=O)O2)C)CC3=C(NC4=CC=CC=C43)C5=CC=CC=C5
InChI
InChI=1S/C28H23NO4/c1-3-25(30)32-24-14-13-19-17(2)15-26(31)33-28(19)22(24)16-21-20-11-7-8-12-23(20)29-27(21)18-9-5-4-6-10-18/h4-15,29H,3,16H2,1-2H3
InChIKey
DWMDEHIOZHGOHZ-UHFFFAOYSA-N
Compound name
[4-methyl-2-oxo-8-[(2-phenyl-1H-indol-3-yl)methyl]chromen-7-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

437.16272 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.17000 208.7
[M+Na]+ 460.15194 218.3
[M-H]- 436.15544 219.3
[M+NH4]+ 455.19654 218.2
[M+K]+ 476.12588 212.2
[M+H-H2O]+ 420.15998 198.2
[M+HCOO]- 482.16092 226.8
[M+CH3COO]- 496.17657 218.3
[M+Na-2H]- 458.13739 209.7
[M]+ 437.16217 214.2
[M]- 437.16327 214.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.