CID 121604470

1932605-03-2

Structural Information

Molecular Formula
C22H21NO4
SMILES
C1CC2(CCC1N2C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C22H21NO4/c24-20(25)22-11-9-14(10-12-22)23(22)21(26)27-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19H,9-13H2,(H,24,25)
InChIKey
PBLYOUWKNGCNAL-UHFFFAOYSA-N
Compound name
7-(9H-fluoren-9-ylmethoxycarbonyl)-7-azabicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.14706 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15434 186.0
[M+Na]+ 386.13628 194.9
[M+NH4]+ 381.18088 195.3
[M+K]+ 402.11022 192.6
[M-H]- 362.13978 187.1
[M+Na-2H]- 384.12173 187.5
[M]+ 363.14651 187.4
[M]- 363.14761 187.4
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.