CID 132350954

2137856-10-9

Structural Information

Molecular Formula
C23H25NO5
SMILES
C1CC(CN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)COCC(=O)O
InChI
InChI=1S/C23H25NO5/c25-22(26)15-28-13-16-6-5-11-24(12-16)23(27)29-14-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-4,7-10,16,21H,5-6,11-15H2,(H,25,26)
InChIKey
YGLISVAENVGYBU-UHFFFAOYSA-N
Compound name
2-[[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]methoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.17328 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.18056 193.9
[M+Na]+ 418.16250 197.3
[M-H]- 394.16600 198.3
[M+NH4]+ 413.20710 205.9
[M+K]+ 434.13644 193.1
[M+H-H2O]+ 378.17054 184.9
[M+HCOO]- 440.17148 207.3
[M+CH3COO]- 454.18713 218.3
[M+Na-2H]- 416.14795 193.0
[M]+ 395.17273 193.9
[M]- 395.17383 193.9
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.