CID 177799523

2923844-83-9

Structural Information

Molecular Formula
C22H21NO4
SMILES
C1CN(C2(C1C2)CC(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C22H21NO4/c24-20(25)12-22-11-14(22)9-10-23(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
AOEDRKMZFUWXSQ-UHFFFAOYSA-N
Compound name
2-[2-(9H-fluoren-9-ylmethoxycarbonyl)-2-azabicyclo[3.1.0]hexan-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.14706 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.154336 186.9
[M+Na]+ 386.136278 195.8
[M-H]- 362.139784 193.9
[M+NH4]+ 381.180883 200.7
[M+K]+ 402.110218 189.7
[M+H-H2O]+ 346.144320 181.2
[M+HCOO]- 408.145261 202.0
[M+CH3COO]- 422.160911 196.5
[M+Na-2H]- 384.121726 187.1
[M]+ 363.14651142 191.7
[M]- 363.14760858 191.7
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.