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 191.2
[M+Na]+ 403.16282 195.3
[M-H]- 379.16632 194.4
[M+NH4]+ 398.20742 202.5
[M+K]+ 419.13676 190.3
[M+H-H2O]+ 363.17086 181.5
[M+HCOO]- 425.17180 203.5
[M+CH3COO]- 439.18745 215.9
[M+Na-2H]- 401.14827 190.5
[M]+ 380.17305 190.0
[M]- 380.17415 190.0
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.