CID 2756175

4-[2-(fmoc-amino)ethoxy]benzoic acid

Structural Information

Molecular Formula
C24H21NO5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOC4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C24H21NO5/c26-23(27)16-9-11-17(12-10-16)29-14-13-25-24(28)30-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22H,13-15H2,(H,25,28)(H,26,27)
InChIKey
OHVLIOLJNXNLPK-UHFFFAOYSA-N
Compound name
4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

403.14197 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.14925 194.3
[M+Na]+ 426.13119 199.3
[M-H]- 402.13469 201.1
[M+NH4]+ 421.17579 207.1
[M+K]+ 442.10513 194.9
[M+H-H2O]+ 386.13923 185.6
[M+HCOO]- 448.14017 214.0
[M+CH3COO]- 462.15582 222.7
[M+Na-2H]- 424.11664 196.5
[M]+ 403.14142 197.8
[M]- 403.14252 197.8
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