CID 132350956

2137646-60-5

Structural Information

Molecular Formula
C25H21NO4
SMILES
C1C2=CC=CC=C2C(N1C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)CC(=O)O
InChI
InChI=1S/C25H21NO4/c27-24(28)13-23-17-8-2-1-7-16(17)14-26(23)25(29)30-15-22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h1-12,22-23H,13-15H2,(H,27,28)
InChIKey
VSAWVLYUBZONDD-UHFFFAOYSA-N
Compound name
2-[2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroisoindol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.14706 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.154336 196.1
[M+Na]+ 422.136278 202.7
[M-H]- 398.139784 203.2
[M+NH4]+ 417.180883 211.1
[M+K]+ 438.110218 196.9
[M+H-H2O]+ 382.144320 188.3
[M+HCOO]- 444.145261 212.0
[M+CH3COO]- 458.160911 205.3
[M+Na-2H]- 420.121726 194.9
[M]+ 399.14651142 198.3
[M]- 399.14760858 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.