CID 122360735

2170726-27-7

Structural Information

Molecular Formula
C22H21NO4
SMILES
C1CC12C[C@H](N(C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C22H21NO4/c24-20(25)19-11-22(9-10-22)13-23(19)21(26)27-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18-19H,9-13H2,(H,24,25)/t19-/m0/s1
InChIKey
MVFGNNLXLDZZLZ-IBGZPJMESA-N
Compound name
(6S)-5-(9H-fluoren-9-ylmethoxycarbonyl)-5-azaspiro[2.4]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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 189.3
[M+Na]+ 386.13628 201.9
[M+NH4]+ 381.18088 199.0
[M+K]+ 402.11022 198.1
[M-H]- 362.13978 199.4
[M+Na-2H]- 384.12173 196.2
[M]+ 363.14651 195.2
[M]- 363.14761 195.2
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

patents stripe