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]+ 381.180876 191.2
[M+Na]+ 403.162818 195.3
[M-H]- 379.166324 194.4
[M+NH4]+ 398.207423 202.5
[M+K]+ 419.136758 190.3
[M+H-H2O]+ 363.170860 181.5
[M+HCOO]- 425.171801 203.5
[M+CH3COO]- 439.187451 215.9
[M+Na-2H]- 401.148266 190.5
[M]+ 380.17305142 190.0
[M]- 380.17414858 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.