CID 58896215

2090085-25-7

Structural Information

Molecular Formula
C25H23N3O4
SMILES
C1CN(CCN1C2=NC=C(C=C2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C25H23N3O4/c29-24(30)17-9-10-23(26-15-17)27-11-13-28(14-12-27)25(31)32-16-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-10,15,22H,11-14,16H2,(H,29,30)
InChIKey
TUAYIRXLWZVOGL-UHFFFAOYSA-N
Compound name
6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

429.16885 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.17613 202.5
[M+Na]+ 452.15807 207.0
[M-H]- 428.16157 207.8
[M+NH4]+ 447.20267 209.7
[M+K]+ 468.13201 200.9
[M+H-H2O]+ 412.16611 190.6
[M+HCOO]- 474.16705 213.3
[M+CH3COO]- 488.18270 209.0
[M+Na-2H]- 450.14352 201.7
[M]+ 429.16830 200.3
[M]- 429.16940 200.3
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