CID 177799523

2-(2-{[(9h-fluoren-9-yl)methoxy]carbonyl}-2-azabicyclo[3.1.0]hexan-1-yl)acetic acid

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]+ 364.15434 186.9
[M+Na]+ 386.13628 195.8
[M-H]- 362.13978 193.9
[M+NH4]+ 381.18088 200.7
[M+K]+ 402.11022 189.7
[M+H-H2O]+ 346.14432 181.2
[M+HCOO]- 408.14526 202.0
[M+CH3COO]- 422.16091 196.5
[M+Na-2H]- 384.12173 187.1
[M]+ 363.14651 191.7
[M]- 363.14761 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.