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]+ 406.201276 198.5
[M+Na]+ 428.183218 202.6
[M-H]- 404.186724 204.8
[M+NH4]+ 423.227823 218.4
[M+K]+ 444.157158 197.2
[M+H-H2O]+ 388.191260 193.2
[M+HCOO]- 450.192201 214.4
[M+CH3COO]- 464.207851 207.0
[M+Na-2H]- 426.168666 196.6
[M]+ 405.19345142 199.6
[M]- 405.19454858 199.6
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.