CID 132342289

2137738-72-6

Structural Information

Molecular Formula
C22H21NO4
SMILES
C1C[C@@H]2C[C@@]2(N(C1)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C22H21NO4/c24-20(25)22-12-14(22)6-5-11-23(22)21(26)27-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,14,19H,5-6,11-13H2,(H,24,25)/t14-,22+/m1/s1
InChIKey
VAOPUOOWIHHJOX-PEBXRYMYSA-N
Compound name
(1S,6R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-2-azabicyclo[4.1.0]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.14706 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15434 188.9
[M+Na]+ 386.13628 202.4
[M+NH4]+ 381.18088 198.9
[M+K]+ 402.11022 196.4
[M-H]- 362.13978 198.9
[M+Na-2H]- 384.12173 195.7
[M]+ 363.14651 194.9
[M]- 363.14761 194.9
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.