CID 132351065

2138024-95-8

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 183.1
[M+Na]+ 386.13628 187.6
[M-H]- 362.13978 189.6
[M+NH4]+ 381.18088 193.3
[M+K]+ 402.11022 186.2
[M+H-H2O]+ 346.14432 171.6
[M+HCOO]- 408.14526 197.0
[M+CH3COO]- 422.16091 192.1
[M+Na-2H]- 384.12173 180.9
[M]+ 363.14651 192.4
[M]- 363.14761 192.4
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.