CID 154577101

2418719-72-7

Structural Information

Molecular Formula
C25H27NO4
SMILES
C1CCC2C(CC1)C(C2C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C25H27NO4/c27-24(28)22-19-12-2-1-3-13-20(19)23(22)26-25(29)30-14-21-17-10-6-4-8-15(17)16-9-5-7-11-18(16)21/h4-11,19-23H,1-3,12-14H2,(H,26,29)(H,27,28)
InChIKey
JDAISBUQAODCSX-UHFFFAOYSA-N
Compound name
9-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[5.2.0]nonane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.194 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.20128 198.6
[M+Na]+ 428.18322 202.3
[M+NH4]+ 423.22782 201.6
[M+K]+ 444.15716 200.2
[M-H]- 404.18672 199.0
[M+Na-2H]- 426.16867 197.7
[M]+ 405.19345 197.9
[M]- 405.19455 197.9
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.