CID 132350957

2138021-20-0

Structural Information

Molecular Formula
C25H21NO4
SMILES
C1CN(C2=C1C=CC(=C2)CC(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C25H21NO4/c27-24(28)14-16-9-10-17-11-12-26(23(17)13-16)25(29)30-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-10,13,22H,11-12,14-15H2,(H,27,28)
InChIKey
LFSVYAWAZRKHSR-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindol-6-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.14706 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.15434 196.1
[M+Na]+ 422.13628 202.7
[M-H]- 398.13978 203.2
[M+NH4]+ 417.18088 211.1
[M+K]+ 438.11022 196.9
[M+H-H2O]+ 382.14432 188.3
[M+HCOO]- 444.14526 212.0
[M+CH3COO]- 458.16091 205.3
[M+Na-2H]- 420.12173 194.9
[M]+ 399.14651 198.3
[M]- 399.14761 198.3
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.