CID 137965653

2230798-63-5

Structural Information

Molecular Formula
C29H32N2O7
SMILES
CC(C)(C)OC(=O)N1CC2(C1)[C@H]3CN(C[C@]3(CO2)C(=O)O)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C29H32N2O7/c1-27(2,3)38-26(35)31-15-29(16-31)23-12-30(14-28(23,17-37-29)24(32)33)25(34)36-13-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,22-23H,12-17H2,1-3H3,(H,32,33)/t23-,28+/m0/s1
InChIKey
ZPWAFBIMCBPSAU-NEKDWFFYSA-N
Compound name
(3aR,6aR)-5-(9H-fluoren-9-ylmethoxycarbonyl)-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[1,3a,4,6-tetrahydrofuro[3,4-c]pyrrole-3,3'-azetidine]-6a-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.22095 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.22823 220.2
[M+Na]+ 543.21017 222.1
[M+NH4]+ 538.25477 223.1
[M+K]+ 559.18411 223.2
[M-H]- 519.21367 218.4
[M+Na-2H]- 541.19562 218.3
[M]+ 520.22040 218.7
[M]- 520.22150 218.7
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.