CID 137964425

2307710-26-3

Structural Information

Molecular Formula
C24H25NO4
SMILES
C1CC[C@@H]2[C@H](C1)CN(C2C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C24H25NO4/c26-23(27)22-16-8-2-1-7-15(16)13-25(22)24(28)29-14-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h3-6,9-12,15-16,21-22H,1-2,7-8,13-14H2,(H,26,27)/t15-,16-,22?/m1/s1
InChIKey
GZNUBPKODNRXPQ-AXJGWOQESA-N
Compound name
(3aS,7aR)-2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.17834 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.18562 193.9
[M+Na]+ 414.16756 203.9
[M+NH4]+ 409.21216 201.6
[M+K]+ 430.14150 201.0
[M-H]- 390.17106 196.6
[M+Na-2H]- 412.15301 195.2
[M]+ 391.17779 195.8
[M]- 391.17889 195.8
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.