CID 132351078

2138507-49-8

Structural Information

Molecular Formula
C24H25NO4
SMILES
C1CC[C@]2(CN(C[C@H]2C1)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C24H25NO4/c26-22(27)24-12-6-5-7-16(24)13-25(15-24)23(28)29-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-4,8-11,16,21H,5-7,12-15H2,(H,26,27)/t16-,24-/m1/s1
InChIKey
SQXAMZGYCSFLRF-VOIUYBSRSA-N
Compound name
(3aS,7aS)-2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,5,6,7,7a-hexahydro-1H-isoindole-3a-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.17834 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.18562 194.9
[M+Na]+ 414.16756 204.6
[M+NH4]+ 409.21216 204.0
[M+K]+ 430.14150 199.7
[M-H]- 390.17106 197.5
[M+Na-2H]- 412.15301 197.8
[M]+ 391.17779 196.9
[M]- 391.17889 196.9
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.