CID 496186

Nsc681660

Structural Information

Molecular Formula
C28H27NO3
SMILES
CC(C)(C)OC(=O)C1CCC(=O)N1C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5
InChI
InChI=1S/C28H27NO3/c1-27(2,3)32-26(31)24-17-18-25(30)29(24)28(19-11-5-4-6-12-19)22-15-9-7-13-20(22)21-14-8-10-16-23(21)28/h4-16,24H,17-18H2,1-3H3
InChIKey
ZMNQSAJGWRXSPA-UHFFFAOYSA-N
Compound name
tert-butyl 5-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.1991 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.20638 208.1
[M+Na]+ 448.18832 215.1
[M-H]- 424.19182 218.6
[M+NH4]+ 443.23292 223.7
[M+K]+ 464.16226 209.0
[M+H-H2O]+ 408.19636 199.4
[M+HCOO]- 470.19730 224.0
[M+CH3COO]- 484.21295 217.3
[M+Na-2H]- 446.17377 207.1
[M]+ 425.19855 209.4
[M]- 425.19965 209.4
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.