CID 145874331

2375250-87-4

Structural Information

Molecular Formula
C23H23NO4
SMILES
C1C[C@@H]2C[C@H]1[C@H](N2C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)CC(=O)O
InChI
InChI=1S/C23H23NO4/c25-22(26)12-21-14-9-10-15(11-14)24(21)23(27)28-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,14-15,20-21H,9-13H2,(H,25,26)/t14-,15+,21+/m0/s1
InChIKey
LYKDYLCWYSVWBC-PDSXEYIOSA-N
Compound name
2-[(1R,3R,4S)-2-(9H-fluoren-9-ylmethoxycarbonyl)-2-azabicyclo[2.2.1]heptan-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.16272 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.17000 191.4
[M+Na]+ 400.15194 196.9
[M-H]- 376.15544 197.0
[M+NH4]+ 395.19654 209.8
[M+K]+ 416.12588 192.1
[M+H-H2O]+ 360.15998 185.9
[M+HCOO]- 422.16092 205.8
[M+CH3COO]- 436.17657 200.5
[M+Na-2H]- 398.13739 187.5
[M]+ 377.16217 193.1
[M]- 377.16327 193.1
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.