CID 57638735

1654740-73-4

Structural Information

Molecular Formula
C20H21NO5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCC(=O)O
InChI
InChI=1S/C20H21NO5/c22-19(23)9-11-25-12-10-21-20(24)26-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13H2,(H,21,24)(H,22,23)
InChIKey
LHBCOPWWQKLECJ-UHFFFAOYSA-N
Compound name
3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

355.14197 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14925 182.3
[M+Na]+ 378.13119 187.3
[M-H]- 354.13469 185.7
[M+NH4]+ 373.17579 197.6
[M+K]+ 394.10513 183.7
[M+H-H2O]+ 338.13923 175.0
[M+HCOO]- 400.14017 202.3
[M+CH3COO]- 414.15582 213.4
[M+Na-2H]- 376.11664 185.1
[M]+ 355.14142 186.8
[M]- 355.14252 186.8
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