CID 145913567

2377031-23-5

Structural Information

Molecular Formula
C27H30N2O6
SMILES
CC(C)(C)OC(=O)N1CC2(C1)C(CCN2C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C27H30N2O6/c1-26(2,3)35-24(32)28-15-27(16-28)22(23(30)31)12-13-29(27)25(33)34-14-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,21-22H,12-16H2,1-3H3,(H,30,31)
InChIKey
GROGCJNYEADCCJ-UHFFFAOYSA-N
Compound name
5-(9H-fluoren-9-ylmethoxycarbonyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-diazaspiro[3.4]octane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.2104 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.21768 214.6
[M+Na]+ 501.19962 217.9
[M+NH4]+ 496.24422 216.2
[M+K]+ 517.17356 218.0
[M-H]- 477.20312 211.8
[M+Na-2H]- 499.18507 213.5
[M]+ 478.20985 212.8
[M]- 478.21095 212.8
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.