CID 167729465

2-[(1-{[(9h-fluoren-9-yl)methoxy]carbonyl}-4-methylpiperidin-4-yl)oxy]acetic acid

Structural Information

Molecular Formula
C23H25NO5
SMILES
CC1(CCN(CC1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OCC(=O)O
InChI
InChI=1S/C23H25NO5/c1-23(29-15-21(25)26)10-12-24(13-11-23)22(27)28-14-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,20H,10-15H2,1H3,(H,25,26)
InChIKey
IBDUTFCVRGGELG-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpiperidin-4-yl]oxyacetic 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 194.9
[M+Na]+ 418.16250 205.5
[M+NH4]+ 413.20710 202.8
[M+K]+ 434.13644 199.1
[M-H]- 394.16600 197.0
[M+Na-2H]- 416.14795 199.2
[M]+ 395.17273 196.9
[M]- 395.17383 196.9
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.