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]+ 370.128526 184.7
[M+Na]+ 392.110468 189.5
[M-H]- 368.113974 189.6
[M+NH4]+ 387.155073 199.8
[M+K]+ 408.084408 188.2
[M+H-H2O]+ 352.118510 177.5
[M+HCOO]- 414.119451 204.5
[M+CH3COO]- 428.135101 218.4
[M+Na-2H]- 390.095916 185.8
[M]+ 369.12070142 190.5
[M]- 369.12179858 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.