CID 132351065

2137145-12-9

Structural Information

Molecular Formula
C22H21NO4
SMILES
C1[C@H]2CN(C[C@H]2[C@@H]1C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C22H21NO4/c24-21(25)18-9-13-10-23(11-19(13)18)22(26)27-12-20-16-7-3-1-5-14(16)15-6-2-4-8-17(15)20/h1-8,13,18-20H,9-12H2,(H,24,25)/t13-,18+,19+/m0/s1
InChIKey
AWLKMQUTYRYYDR-MJXNMMHHSA-N
Compound name
(1R,5R,6R)-3-(9H-fluoren-9-ylmethoxycarbonyl)-3-azabicyclo[3.2.0]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.14706 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15434 184.4
[M+Na]+ 386.13628 190.4
[M+NH4]+ 381.18088 188.0
[M+K]+ 402.11022 189.8
[M-H]- 362.13978 183.7
[M+Na-2H]- 384.12173 183.4
[M]+ 363.14651 183.6
[M]- 363.14761 183.6
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.