CID 73130426

161171-05-7

Structural Information

Molecular Formula
C20H17NO4
SMILES
C1C=CC(N1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C20H17NO4/c22-19(23)18-10-5-11-21(18)20(24)25-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-10,17-18H,11-12H2,(H,22,23)
InChIKey
OALUMAMYGOBVTF-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-2,5-dihydropyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

335.11575 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.12303 177.9
[M+Na]+ 358.10497 189.3
[M+NH4]+ 353.14957 185.3
[M+K]+ 374.07891 186.9
[M-H]- 334.10847 180.2
[M+Na-2H]- 356.09042 181.8
[M]+ 335.11520 179.9
[M]- 335.11630 179.9
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

patents stripe