CID 131265151

2091154-26-4

Structural Information

Molecular Formula
C26H25N3O4
SMILES
C1CN(CCC1NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C5=NC=CC(=C5)C(=O)O
InChI
InChI=1S/C26H25N3O4/c30-25(31)17-9-12-27-24(15-17)29-13-10-18(11-14-29)28-26(32)33-16-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-9,12,15,18,23H,10-11,13-14,16H2,(H,28,32)(H,30,31)
InChIKey
PSMWHBJCQDKNMO-UHFFFAOYSA-N
Compound name
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.1845 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.19178 207.0
[M+Na]+ 466.17372 219.1
[M+NH4]+ 461.21832 213.2
[M+K]+ 482.14766 213.8
[M-H]- 442.17722 211.9
[M+Na-2H]- 464.15917 212.5
[M]+ 443.18395 209.9
[M]- 443.18505 209.9
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.