CID 136570748

2219418-90-1

Structural Information

Molecular Formula
C24H19NO4
SMILES
C1CN(C2=CC=CC(=C21)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C24H19NO4/c26-23(27)20-10-5-11-22-19(20)12-13-25(22)24(28)29-14-21-17-8-3-1-6-15(17)16-7-2-4-9-18(16)21/h1-11,21H,12-14H2,(H,26,27)
InChIKey
KOHDIWMSCOCPOD-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.1314 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.13868 191.5
[M+Na]+ 408.12062 198.6
[M-H]- 384.12412 198.8
[M+NH4]+ 403.16522 207.1
[M+K]+ 424.09456 193.0
[M+H-H2O]+ 368.12866 183.9
[M+HCOO]- 430.12960 207.8
[M+CH3COO]- 444.14525 201.1
[M+Na-2H]- 406.10607 190.8
[M]+ 385.13085 193.4
[M]- 385.13195 193.4
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.