CID 63310534

1339485-97-0

Structural Information

Molecular Formula
C22H24N2O4
SMILES
C1CN(CCN1CCC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H24N2O4/c25-21(26)9-10-23-11-13-24(14-12-23)22(27)28-15-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,20H,9-15H2,(H,25,26)
InChIKey
XFUNXQDLERJOBY-UHFFFAOYSA-N
Compound name
3-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1736 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.18088 191.7
[M+Na]+ 403.16282 202.6
[M+NH4]+ 398.20742 198.0
[M+K]+ 419.13676 198.0
[M-H]- 379.16632 193.5
[M+Na-2H]- 401.14827 194.7
[M]+ 380.17305 193.4
[M]- 380.17415 193.4
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.