CID 63310611

1341969-00-3

Structural Information

Molecular Formula
C20H21NO5
SMILES
COCCN(CC(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H21NO5/c1-25-11-10-21(12-19(22)23)20(24)26-13-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,18H,10-13H2,1H3,(H,22,23)
InChIKey
JMZNWGXELFZOKV-UHFFFAOYSA-N
Compound name
2-[9H-fluoren-9-ylmethoxycarbonyl(2-methoxyethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.14197 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14925 183.3
[M+Na]+ 378.13119 188.3
[M-H]- 354.13469 188.1
[M+NH4]+ 373.17579 199.1
[M+K]+ 394.10513 186.1
[M+H-H2O]+ 338.13923 175.9
[M+HCOO]- 400.14017 203.7
[M+CH3COO]- 414.15582 216.6
[M+Na-2H]- 376.11664 185.2
[M]+ 355.14142 188.9
[M]- 355.14252 188.9
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.