CID 137698931

2137451-89-7

Structural Information

Molecular Formula
C23H25NO4
SMILES
CC1(CCN(C(C1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C
InChI
InChI=1S/C23H25NO4/c1-23(2)11-12-24(20(13-23)21(25)26)22(27)28-14-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,19-20H,11-14H2,1-2H3,(H,25,26)
InChIKey
LQVIOMMFCUWSGV-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylpiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.17834 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.185616 192.6
[M+Na]+ 402.167558 198.4
[M-H]- 378.171064 197.8
[M+NH4]+ 397.212163 207.8
[M+K]+ 418.141498 193.6
[M+H-H2O]+ 362.175600 184.3
[M+HCOO]- 424.176541 205.8
[M+CH3COO]- 438.192191 216.9
[M+Na-2H]- 400.153006 191.8
[M]+ 379.17779142 192.0
[M]- 379.17888858 192.0
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

No patent data available for this compound.