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 203.7
[M+Na]+ 466.17372 206.8
[M-H]- 442.17722 210.1
[M+NH4]+ 461.21832 211.5
[M+K]+ 482.14766 201.1
[M+H-H2O]+ 426.18176 192.4
[M+HCOO]- 488.18270 216.7
[M+CH3COO]- 502.19835 210.1
[M+Na-2H]- 464.15917 203.6
[M]+ 443.18395 200.9
[M]- 443.18505 200.9
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.