CID 132313470

2138213-22-4

Structural Information

Molecular Formula
C25H20BrNO4
SMILES
C1C(C2=C(N1C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C=CC(=C2)Br)CC(=O)O
InChI
InChI=1S/C25H20BrNO4/c26-16-9-10-23-21(12-16)15(11-24(28)29)13-27(23)25(30)31-14-22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-10,12,15,22H,11,13-14H2,(H,28,29)
InChIKey
JHRJSCDHSRFHKR-UHFFFAOYSA-N
Compound name
2-[5-bromo-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.05756 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.06484 209.8
[M+Na]+ 500.04678 212.7
[M+NH4]+ 495.09138 213.5
[M+K]+ 516.02072 214.2
[M-H]- 476.05028 211.2
[M+Na-2H]- 498.03223 209.2
[M]+ 477.05701 209.3
[M]- 477.05811 209.3
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.