CID 100105

Einecs 252-661-1

Structural Information

Molecular Formula
C24H21NO4
SMILES
C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H21NO4/c26-23(27)22(14-16-8-2-1-3-9-16)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)
InChIKey
SJVFAHZPLIXNDH-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

25
References

8971
Patents

387.14706 Da
Monoisotopic Mass

4.6
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

literature stripe

Patent stripe

patents stripe