CID 85837949

540483-58-7

Structural Information

Molecular Formula
C25H23NO4
SMILES
C1=CC=C(C=C1)CCN(CC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H23NO4/c27-24(28)16-26(15-14-18-8-2-1-3-9-18)25(29)30-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23H,14-17H2,(H,27,28)
InChIKey
LFQGEVARORMAGZ-UHFFFAOYSA-N
Compound name
2-[9H-fluoren-9-ylmethoxycarbonyl(2-phenylethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

401.16272 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.17000 197.1
[M+Na]+ 424.15194 201.1
[M-H]- 400.15544 204.7
[M+NH4]+ 419.19654 210.4
[M+K]+ 440.12588 196.9
[M+H-H2O]+ 384.15998 188.1
[M+HCOO]- 446.16092 216.8
[M+CH3COO]- 460.17657 225.2
[M+Na-2H]- 422.13739 198.3
[M]+ 401.16217 200.2
[M]- 401.16327 200.2
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