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]+ 378.17000 190.4
[M+Na]+ 400.15194 194.9
[M-H]- 376.15544 196.7
[M+NH4]+ 395.19654 201.8
[M+K]+ 416.12588 192.9
[M+H-H2O]+ 360.15998 178.9
[M+HCOO]- 422.16092 203.9
[M+CH3COO]- 436.17657 198.9
[M+Na-2H]- 398.13739 189.2
[M]+ 377.16217 200.0
[M]- 377.16327 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.