CID 107272472

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.14706 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.15434 191.9
[M+Na]+ 410.13628 197.3
[M-H]- 386.13978 198.8
[M+NH4]+ 405.18088 205.6
[M+K]+ 426.11022 192.0
[M+H-H2O]+ 370.14432 183.5
[M+HCOO]- 432.14526 211.5
[M+CH3COO]- 446.16091 220.5
[M+Na-2H]- 408.12173 193.9
[M]+ 387.14651 194.0
[M]- 387.14761 194.0
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.