CID 496479

Nsc690766

Structural Information

Molecular Formula
C20H21NO4Se
SMILES
COC(=O)C1CC(CN1C(=O)OCC2=CC=CC=C2)[Se]C3=CC=CC=C3
InChI
InChI=1S/C20H21NO4Se/c1-24-19(22)18-12-17(26-16-10-6-3-7-11-16)13-21(18)20(23)25-14-15-8-4-2-5-9-15/h2-11,17-18H,12-14H2,1H3
InChIKey
HCJAVQAGTRJKMS-UHFFFAOYSA-N
Compound name
1-O-benzyl 2-O-methyl 4-phenylselanylpyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.06357 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.07085 197.0
[M+Na]+ 442.05279 200.7
[M-H]- 418.05629 204.2
[M+NH4]+ 437.09739 208.8
[M+K]+ 458.02673 197.0
[M+H-H2O]+ 402.06083 186.7
[M+HCOO]- 464.06177 215.4
[M+CH3COO]- 478.07742 212.8
[M+Na-2H]- 440.03824 194.2
[M]+ 419.06302 197.7
[M]- 419.06412 197.7
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.