CID 121604474

1993278-87-7

Structural Information

Molecular Formula
C22H21NO4
SMILES
C1C[C@@H]2C[C@H]1[C@H](N2C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C22H21NO4/c24-21(25)20-13-9-10-14(11-13)23(20)22(26)27-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,13-14,19-20H,9-12H2,(H,24,25)/t13-,14+,20-/m0/s1
InChIKey
MFMHMHFNWJQMQT-MNVSYLFESA-N
Compound name
(1R,3S,4S)-2-(9H-fluoren-9-ylmethoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.14706 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15434 185.1
[M+Na]+ 386.13628 194.4
[M+NH4]+ 381.18088 193.0
[M+K]+ 402.11022 194.1
[M-H]- 362.13978 186.4
[M+Na-2H]- 384.12173 185.1
[M]+ 363.14651 186.5
[M]- 363.14761 186.5
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.