CID 53398102

1702752-26-8

Structural Information

Molecular Formula
C24H22N2O5
SMILES
COC1=NC=C(C=C1)C(CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H22N2O5/c1-30-22-11-10-15(13-25-22)21(12-23(27)28)26-24(29)31-14-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-11,13,20-21H,12,14H2,1H3,(H,26,29)(H,27,28)
InChIKey
XSOWGPXMQMVHDC-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-methoxypyridin-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.15286 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.16014 198.1
[M+Na]+ 441.14208 202.6
[M-H]- 417.14558 203.6
[M+NH4]+ 436.18668 208.8
[M+K]+ 457.11602 198.7
[M+H-H2O]+ 401.15012 188.7
[M+HCOO]- 463.15106 215.5
[M+CH3COO]- 477.16671 226.2
[M+Na-2H]- 439.12753 199.4
[M]+ 418.15231 201.5
[M]- 418.15341 201.5
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.