CID 165727916

En300-6521610

Structural Information

Molecular Formula
C28H24N2O6
SMILES
CC(C)[C@@H](C(=O)ON1C(=O)C2=CC=CC=C2C1=O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C28H24N2O6/c1-16(2)24(27(33)36-30-25(31)21-13-7-8-14-22(21)26(30)32)29-28(34)35-15-23-19-11-5-3-9-17(19)18-10-4-6-12-20(18)23/h3-14,16,23-24H,15H2,1-2H3,(H,29,34)/t24-/m0/s1
InChIKey
SXORVNKJZPGGPC-DEOSSOPVSA-N
Compound name
(1,3-dioxoisoindol-2-yl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.16342 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.17070 214.5
[M+Na]+ 507.15264 218.9
[M-H]- 483.15614 222.6
[M+NH4]+ 502.19724 225.8
[M+K]+ 523.12658 215.6
[M+H-H2O]+ 467.16068 206.5
[M+HCOO]- 529.16162 230.2
[M+CH3COO]- 543.17727 241.9
[M+Na-2H]- 505.13809 211.1
[M]+ 484.16287 219.3
[M]- 484.16397 219.3
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.