CID 2734302

220498-02-2

Structural Information

Molecular Formula
C24H21NO4
SMILES
C1=CC=C(C=C1)[C@@H](CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H21NO4/c26-23(27)14-22(16-8-2-1-3-9-16)25-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,25,28)(H,26,27)/t22-/m1/s1
InChIKey
PTSLRPMRTOVHAB-JOCHJYFZSA-N
Compound name
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

265
Patents

387.14706 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.154336 191.8
[M+Na]+ 410.136278 195.9
[M-H]- 386.139784 198.3
[M+NH4]+ 405.180883 205.0
[M+K]+ 426.110218 191.1
[M+H-H2O]+ 370.144320 183.4
[M+HCOO]- 432.145261 210.4
[M+CH3COO]- 446.160911 220.1
[M+Na-2H]- 408.121726 193.3
[M]+ 387.14651142 192.9
[M]- 387.14760858 192.9
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