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

255
Patents

387.14706 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.15434 191.8
[M+Na]+ 410.13628 195.9
[M-H]- 386.13978 198.3
[M+NH4]+ 405.18088 205.0
[M+K]+ 426.11022 191.1
[M+H-H2O]+ 370.14432 183.4
[M+HCOO]- 432.14526 210.4
[M+CH3COO]- 446.16091 220.1
[M+Na-2H]- 408.12173 193.3
[M]+ 387.14651 192.9
[M]- 387.14761 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