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 196.5
[M+Na]+ 428.18322 198.0
[M-H]- 404.18672 204.4
[M+NH4]+ 423.22782 203.9
[M+K]+ 444.15716 199.1
[M+H-H2O]+ 388.19126 186.9
[M+HCOO]- 450.19220 209.3
[M+CH3COO]- 464.20785 203.5
[M+Na-2H]- 426.16867 195.1
[M]+ 405.19345 200.3
[M]- 405.19455 200.3
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.