CID 2814973

4-[4-(9h-fluoren-9-yl)piperazin-1-yl]-4-oxobutanoic acid

Structural Information

Molecular Formula
C21H22N2O3
SMILES
C1CN(CCN1C2C3=CC=CC=C3C4=CC=CC=C24)C(=O)CCC(=O)O
InChI
InChI=1S/C21H22N2O3/c24-19(9-10-20(25)26)22-11-13-23(14-12-22)21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-8,21H,9-14H2,(H,25,26)
InChIKey
ZXUIBNUAZPYGAQ-UHFFFAOYSA-N
Compound name
4-[4-(9H-fluoren-9-yl)piperazin-1-yl]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

350.16306 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.170336 184.1
[M+Na]+ 373.152278 188.8
[M-H]- 349.155784 187.5
[M+NH4]+ 368.196883 196.7
[M+K]+ 389.126218 183.2
[M+H-H2O]+ 333.160320 174.7
[M+HCOO]- 395.161261 196.6
[M+CH3COO]- 409.176911 192.2
[M+Na-2H]- 371.137726 183.7
[M]+ 350.16251142 181.2
[M]- 350.16360858 181.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.