CID 5010291

6-ethyl-2-methyl-7-[2-(2-methyl-2,3-dihydro-1h-indol-1-yl)-2-oxoethoxy]-3-[(1-phenyl-1h-pyrazol-4-yl)oxy]-4h-chromen-4-one

Structural Information

Molecular Formula
C32H29N3O5
SMILES
CCC1=CC2=C(C=C1OCC(=O)N3C(CC4=CC=CC=C43)C)OC(=C(C2=O)OC5=CN(N=C5)C6=CC=CC=C6)C
InChI
InChI=1S/C32H29N3O5/c1-4-22-15-26-29(16-28(22)38-19-30(36)35-20(2)14-23-10-8-9-13-27(23)35)39-21(3)32(31(26)37)40-25-17-33-34(18-25)24-11-6-5-7-12-24/h5-13,15-18,20H,4,14,19H2,1-3H3
InChIKey
CPODBOIAAKTQRX-UHFFFAOYSA-N
Compound name
6-ethyl-2-methyl-7-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-(1-phenylpyrazol-4-yl)oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.2107 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.21798 232.8
[M+Na]+ 558.19992 241.8
[M-H]- 534.20342 245.6
[M+NH4]+ 553.24452 237.6
[M+K]+ 574.17386 236.4
[M+H-H2O]+ 518.20796 220.8
[M+HCOO]- 580.20890 248.7
[M+CH3COO]- 594.22455 240.6
[M+Na-2H]- 556.18537 228.5
[M]+ 535.21015 240.9
[M]- 535.21125 240.9
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.