CID 165589698

3-{[2-(tert-butoxy)ethyl]({[(9h-fluoren-9-yl)methoxy]carbonyl})amino}propanoic acid

Structural Information

Molecular Formula
C24H29NO5
SMILES
CC(C)(C)OCCN(CCC(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C24H29NO5/c1-24(2,3)30-15-14-25(13-12-22(26)27)23(28)29-16-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,21H,12-16H2,1-3H3,(H,26,27)
InChIKey
OZJPQSLRHIZBPQ-UHFFFAOYSA-N
Compound name
3-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.20456 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.21184 199.0
[M+Na]+ 434.19378 207.4
[M+NH4]+ 429.23838 204.4
[M+K]+ 450.16772 204.2
[M-H]- 410.19728 199.4
[M+Na-2H]- 432.17923 200.8
[M]+ 411.20401 200.0
[M]- 411.20511 200.0
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.