CID 19361801

225240-57-3

Structural Information

Molecular Formula
C22H23NO4
SMILES
CC1(CCN(CC1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C22H23NO4/c1-22(20(24)25)10-12-23(13-11-22)21(26)27-14-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,19H,10-14H2,1H3,(H,24,25)
InChIKey
NVLVYKWFJWQKMG-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

365.16272 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17000 188.3
[M+Na]+ 388.15194 193.7
[M-H]- 364.15544 193.3
[M+NH4]+ 383.19654 203.8
[M+K]+ 404.12588 189.0
[M+H-H2O]+ 348.15998 179.9
[M+HCOO]- 410.16092 202.0
[M+CH3COO]- 424.17657 197.1
[M+Na-2H]- 386.13739 188.7
[M]+ 365.16217 187.0
[M]- 365.16327 187.0
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

patents stripe