CID 137965608

2230802-91-0

Structural Information

Molecular Formula
C26H29NO5
SMILES
C1CN(CCC1C2(CCOCC2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C26H29NO5/c28-24(29)26(11-15-31-16-12-26)18-9-13-27(14-10-18)25(30)32-17-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-8,18,23H,9-17H2,(H,28,29)
InChIKey
QKLQANFRSQWMIH-UHFFFAOYSA-N
Compound name
4-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]oxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.20456 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.21184 204.6
[M+Na]+ 458.19378 206.2
[M-H]- 434.19728 211.7
[M+NH4]+ 453.23838 214.7
[M+K]+ 474.16772 202.7
[M+H-H2O]+ 418.20182 194.3
[M+HCOO]- 480.20276 212.8
[M+CH3COO]- 494.21841 210.7
[M+Na-2H]- 456.17923 202.6
[M]+ 435.20401 199.6
[M]- 435.20511 199.6
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.