CID 51340973

872679-70-4

Structural Information

Molecular Formula
C22H25NO6
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCC(=O)O
InChI
InChI=1S/C22H25NO6/c24-21(25)9-11-27-13-14-28-12-10-23-22(26)29-15-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,20H,9-15H2,(H,23,26)(H,24,25)
InChIKey
QWHLFJJLRVOHTM-UHFFFAOYSA-N
Compound name
3-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

191
Patents

399.16818 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.17546 195.3
[M+Na]+ 422.15740 203.7
[M+NH4]+ 417.20200 200.4
[M+K]+ 438.13134 199.6
[M-H]- 398.16090 195.5
[M+Na-2H]- 420.14285 196.7
[M]+ 399.16763 196.0
[M]- 399.16873 196.0
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