CID 165833029

2172006-02-7

Structural Information

Molecular Formula
C20H19NO6
SMILES
COC(=O)CN(CC(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H19NO6/c1-26-19(24)11-21(10-18(22)23)20(25)27-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17H,10-12H2,1H3,(H,22,23)
InChIKey
QHYZYKOIQSZERA-UHFFFAOYSA-N
Compound name
2-[9H-fluoren-9-ylmethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.12125 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12853 184.7
[M+Na]+ 392.11047 189.5
[M-H]- 368.11397 189.6
[M+NH4]+ 387.15507 199.8
[M+K]+ 408.08441 188.2
[M+H-H2O]+ 352.11851 177.5
[M+HCOO]- 414.11945 204.5
[M+CH3COO]- 428.13510 218.4
[M+Na-2H]- 390.09592 185.8
[M]+ 369.12070 190.5
[M]- 369.12180 190.5
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.