CID 154853185

Rac-2-[(1r,5r)-3-{[(9h-fluoren-9-yl)methoxy]carbonyl}-3-azabicyclo[3.2.0]heptan-1-yl]acetic acid

Structural Information

Molecular Formula
C23H23NO4
SMILES
C1C[C@]2([C@@H]1CN(C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)CC(=O)O
InChI
InChI=1S/C23H23NO4/c25-21(26)11-23-10-9-15(23)12-24(14-23)22(27)28-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20H,9-14H2,(H,25,26)/t15-,23-/m0/s1
InChIKey
ZTMAVHPUQAVSBA-WNSKOXEYSA-N
Compound name
2-[(1R,5R)-3-(9H-fluoren-9-ylmethoxycarbonyl)-3-azabicyclo[3.2.0]heptan-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.16272 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.169996 190.4
[M+Na]+ 400.151938 194.9
[M-H]- 376.155444 196.7
[M+NH4]+ 395.196543 201.8
[M+K]+ 416.125878 192.9
[M+H-H2O]+ 360.159980 178.9
[M+HCOO]- 422.160921 203.9
[M+CH3COO]- 436.176571 198.9
[M+Na-2H]- 398.137386 189.2
[M]+ 377.16217142 200.0
[M]- 377.16326858 200.0
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.