CID 165479550

2137638-44-7

Structural Information

Molecular Formula
C25H27NO4
SMILES
C1CC2CC1CC2(CC(=O)O)CNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C25H27NO4/c27-23(28)13-25(12-16-9-10-17(25)11-16)15-26-24(29)30-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,16-17,22H,9-15H2,(H,26,29)(H,27,28)
InChIKey
PVPYLAAFXFNMOR-UHFFFAOYSA-N
Compound name
2-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-bicyclo[2.2.1]heptanyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.194 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.20128 197.9
[M+Na]+ 428.18322 205.1
[M+NH4]+ 423.22782 207.0
[M+K]+ 444.15716 202.3
[M-H]- 404.18672 199.9
[M+Na-2H]- 426.16867 199.0
[M]+ 405.19345 199.3
[M]- 405.19455 199.3
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.