CID 137944789

2260932-77-0

Structural Information

Molecular Formula
C23H18N2O4
SMILES
C1C2=C(CN1C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N=CC(=C2)C(=O)O
InChI
InChI=1S/C23H18N2O4/c26-22(27)14-9-15-11-25(12-21(15)24-10-14)23(28)29-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-10,20H,11-13H2,(H,26,27)
InChIKey
WAEZAHJTIWAHIS-UHFFFAOYSA-N
Compound name
6-(9H-fluoren-9-ylmethoxycarbonyl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.12665 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.13393 191.1
[M+Na]+ 409.11587 203.9
[M+NH4]+ 404.16047 198.3
[M+K]+ 425.08981 200.8
[M-H]- 385.11937 193.8
[M+Na-2H]- 407.10132 194.8
[M]+ 386.12610 193.5
[M]- 386.12720 193.5
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.