CID 130728049

1935218-02-2

Structural Information

Molecular Formula
C21H23NO5
SMILES
COCCN(CCC(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H23NO5/c1-26-13-12-22(11-10-20(23)24)21(25)27-14-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,19H,10-14H2,1H3,(H,23,24)
InChIKey
HRHBYNFTALYODX-UHFFFAOYSA-N
Compound name
3-[9H-fluoren-9-ylmethoxycarbonyl(2-methoxyethyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.15762 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16490 188.0
[M+Na]+ 392.14684 192.6
[M-H]- 368.15034 192.6
[M+NH4]+ 387.19144 203.2
[M+K]+ 408.12078 190.2
[M+H-H2O]+ 352.15488 180.4
[M+HCOO]- 414.15582 208.0
[M+CH3COO]- 428.17147 219.5
[M+Na-2H]- 390.13229 189.3
[M]+ 369.15707 194.0
[M]- 369.15817 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.