CID 2756130

(r,s)-fmoc-1,3-dihydro-2h-isoindole carboxylic acid

Structural Information

Molecular Formula
C24H19NO4
SMILES
C1C2=CC=CC=C2C(N1C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C24H19NO4/c26-23(27)22-16-8-2-1-7-15(16)13-25(22)24(28)29-14-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h1-12,21-22H,13-14H2,(H,26,27)
InChIKey
YDLDAMFCNLVPGY-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroisoindole-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

385.1314 Da
Monoisotopic Mass

4.1
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

patents stripe