CID 131422964

2090290-84-7

Structural Information

Molecular Formula
C24H22N4O4
SMILES
C1CN(CCN1C2=NN=C(C=C2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C24H22N4O4/c29-23(30)21-9-10-22(26-25-21)27-11-13-28(14-12-27)24(31)32-15-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-10,20H,11-15H2,(H,29,30)
InChIKey
ZJYQECNWUKAAMP-UHFFFAOYSA-N
Compound name
6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.1641 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.17138 202.9
[M+Na]+ 453.15332 216.3
[M+NH4]+ 448.19792 208.3
[M+K]+ 469.12726 211.6
[M-H]- 429.15682 206.1
[M+Na-2H]- 451.13877 208.3
[M]+ 430.16355 205.5
[M]- 430.16465 205.5
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.