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]+ 431.171376 202.2
[M+Na]+ 453.153318 207.0
[M-H]- 429.156824 206.4
[M+NH4]+ 448.197923 208.0
[M+K]+ 469.127258 200.9
[M+H-H2O]+ 413.161360 189.7
[M+HCOO]- 475.162301 212.0
[M+CH3COO]- 489.177951 208.3
[M+Na-2H]- 451.138766 201.9
[M]+ 430.16355142 200.2
[M]- 430.16464858 200.2
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.