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

3
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 178.5
[M+Na]+ 358.10497 185.5
[M-H]- 334.10847 184.9
[M+NH4]+ 353.14957 195.3
[M+K]+ 374.07891 181.1
[M+H-H2O]+ 318.11301 171.5
[M+HCOO]- 380.11395 196.8
[M+CH3COO]- 394.12960 189.1
[M+Na-2H]- 356.09042 178.1
[M]+ 335.11520 180.1
[M]- 335.11630 180.1
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