CID 136547455

2127240-79-1

Structural Information

Molecular Formula
C23H25NO5
SMILES
COCC1(CCCN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C23H25NO5/c1-28-15-23(21(25)26)11-6-12-24(14-23)22(27)29-13-20-18-9-4-2-7-16(18)17-8-3-5-10-19(17)20/h2-5,7-10,20H,6,11-15H2,1H3,(H,25,26)
InChIKey
PHMBKAWTBSIBGV-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(methoxymethyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.17328 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.18056 195.2
[M+Na]+ 418.16250 199.8
[M-H]- 394.16600 199.9
[M+NH4]+ 413.20710 209.3
[M+K]+ 434.13644 195.7
[M+H-H2O]+ 378.17054 186.5
[M+HCOO]- 440.17148 208.6
[M+CH3COO]- 454.18713 217.8
[M+Na-2H]- 416.14795 195.3
[M]+ 395.17273 195.6
[M]- 395.17383 195.6
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.