CID 132350941

2137513-13-2

Structural Information

Molecular Formula
C23H19NO5
SMILES
C1CN(C(C2=C1OC=C2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C23H19NO5/c25-22(26)21-18-10-12-28-20(18)9-11-24(21)23(27)29-13-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-8,10,12,19,21H,9,11,13H2,(H,25,26)
InChIKey
JUCFDERJXCXHPL-UHFFFAOYSA-N
Compound name
5-(9H-fluoren-9-ylmethoxycarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.1263 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.13358 189.6
[M+Na]+ 412.11552 196.2
[M-H]- 388.11902 197.3
[M+NH4]+ 407.16012 203.7
[M+K]+ 428.08946 192.6
[M+H-H2O]+ 372.12356 182.5
[M+HCOO]- 434.12450 204.1
[M+CH3COO]- 448.14015 199.2
[M+Na-2H]- 410.10097 189.2
[M]+ 389.12575 191.9
[M]- 389.12685 191.9
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.