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]+ 406.201276 196.5
[M+Na]+ 428.183218 198.0
[M-H]- 404.186724 204.4
[M+NH4]+ 423.227823 203.9
[M+K]+ 444.157158 199.1
[M+H-H2O]+ 388.191260 186.9
[M+HCOO]- 450.192201 209.3
[M+CH3COO]- 464.207851 203.5
[M+Na-2H]- 426.168666 195.1
[M]+ 405.19345142 200.3
[M]- 405.19454858 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.