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 223.4
[M+Na]+ 543.21017 225.4
[M-H]- 519.21367 231.2
[M+NH4]+ 538.25477 230.1
[M+K]+ 559.18411 227.0
[M+H-H2O]+ 503.21821 214.2
[M+HCOO]- 565.21915 229.7
[M+CH3COO]- 579.23480 240.4
[M+Na-2H]- 541.19562 219.6
[M]+ 520.22040 235.1
[M]- 520.22150 235.1
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.