CID 23601714

890808-56-7

Structural Information

Molecular Formula
C28H22ClNO4
SMILES
CC1=C(OC2=C1C3=C(C=C2)OC(CC3=O)(C)C4=CC=C(C=C4)Cl)C(=O)N5CCC6=CC=CC=C65
InChI
InChI=1S/C28H22ClNO4/c1-16-24-22(33-26(16)27(32)30-14-13-17-5-3-4-6-20(17)30)11-12-23-25(24)21(31)15-28(2,34-23)18-7-9-19(29)10-8-18/h3-12H,13-15H2,1-2H3
InChIKey
HUWLQJUHXIKAIW-UHFFFAOYSA-N
Compound name
7-(4-chlorophenyl)-2-(2,3-dihydroindole-1-carbonyl)-1,7-dimethyl-8H-furo[3,2-f]chromen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

471.12375 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.13103 215.3
[M+Na]+ 494.11297 226.6
[M-H]- 470.11647 228.6
[M+NH4]+ 489.15757 228.6
[M+K]+ 510.08691 221.3
[M+H-H2O]+ 454.12101 206.7
[M+HCOO]- 516.12195 225.7
[M+CH3COO]- 530.13760 225.2
[M+Na-2H]- 492.09842 213.2
[M]+ 471.12320 221.9
[M]- 471.12430 221.9
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

patents stripe