CID 132349294

2137443-10-6

Structural Information

Molecular Formula
C24H26N2O5
SMILES
CC(C(=O)N1CCCC(C1)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H26N2O5/c1-15(22(27)26-12-6-7-16(13-26)23(28)29)25-24(30)31-14-21-19-10-4-2-8-17(19)18-9-3-5-11-20(18)21/h2-5,8-11,15-16,21H,6-7,12-14H2,1H3,(H,25,30)(H,28,29)
InChIKey
IGQNDNHOEVYVSD-UHFFFAOYSA-N
Compound name
1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.18417 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.191446 199.0
[M+Na]+ 445.173388 200.7
[M-H]- 421.176894 203.3
[M+NH4]+ 440.217993 209.3
[M+K]+ 461.147328 197.2
[M+H-H2O]+ 405.181430 190.3
[M+HCOO]- 467.182371 211.3
[M+CH3COO]- 481.198021 227.1
[M+Na-2H]- 443.158836 196.5
[M]+ 422.18362142 196.9
[M]- 422.18471858 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.