CID 3055448

4-(2-(9-fluorenyloxy)ethyl)-1-piperazinepropionic acid dimaleate

Structural Information

Molecular Formula
C22H26N2O3
SMILES
C1CN(CCN1CCC(=O)O)CCOC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H26N2O3/c25-21(26)9-10-23-11-13-24(14-12-23)15-16-27-22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-8,22H,9-16H2,(H,25,26)
InChIKey
ZZRPMSXIZZYRIC-UHFFFAOYSA-N
Compound name
3-[4-[2-(9H-fluoren-9-yloxy)ethyl]piperazin-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.19434 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.20162 189.1
[M+Na]+ 389.18356 193.3
[M-H]- 365.18706 192.1
[M+NH4]+ 384.22816 201.1
[M+K]+ 405.15750 187.5
[M+H-H2O]+ 349.19160 179.1
[M+HCOO]- 411.19254 202.0
[M+CH3COO]- 425.20819 196.8
[M+Na-2H]- 387.16901 189.3
[M]+ 366.19379 187.9
[M]- 366.19489 187.9
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.