CID 138112401

258332-56-8

Structural Information

Molecular Formula
C29H31NO5
SMILES
CC(C)(C)OC1=CC=C(C=C1)CCN(CC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C29H31NO5/c1-29(2,3)35-21-14-12-20(13-15-21)16-17-30(18-27(31)32)28(33)34-19-26-24-10-6-4-8-22(24)23-9-5-7-11-25(23)26/h4-15,26H,16-19H2,1-3H3,(H,31,32)
InChIKey
LZLFEJRTKMYGTQ-UHFFFAOYSA-N
Compound name
2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.2202 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.22748 218.4
[M+Na]+ 496.20942 221.5
[M-H]- 472.21292 225.8
[M+NH4]+ 491.25402 229.0
[M+K]+ 512.18336 218.3
[M+H-H2O]+ 456.21746 209.5
[M+HCOO]- 518.21840 235.0
[M+CH3COO]- 532.23405 240.0
[M+Na-2H]- 494.19487 218.3
[M]+ 473.21965 224.0
[M]- 473.22075 224.0
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

No patent data available for this compound.