CID 178200031

(1r,5s)-3-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)bicyclo[3.2.0]heptane-3-carboxylic acid

Structural Information

Molecular Formula
C23H23NO4
SMILES
C1C[C@@H]2[C@H]1CC(C2)(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C23H23NO4/c25-21(26)23(11-14-9-10-15(14)12-23)24-22(27)28-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,14-15,20H,9-13H2,(H,24,27)(H,25,26)/t14-,15+,23?
InChIKey
IRHKJRXUKFRFDO-VGVWNIBESA-N
Compound name
(1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.2.0]heptane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.16272 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.169996 189.0
[M+Na]+ 400.151938 192.4
[M-H]- 376.155444 196.4
[M+NH4]+ 395.196543 201.3
[M+K]+ 416.125878 190.7
[M+H-H2O]+ 360.159980 178.0
[M+HCOO]- 422.160921 204.6
[M+CH3COO]- 436.176571 219.9
[M+Na-2H]- 398.137386 188.7
[M]+ 377.16217142 197.4
[M]- 377.16326858 197.4
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.