CID 434687

Nsc354673

Structural Information

Molecular Formula
C22H24N2O5Se
SMILES
COC(=O)C1(CCN2C1C(CC2)OCC3=CC=CC=C3[N+](=O)[O-])[Se]C4=CC=CC=C4
InChI
InChI=1S/C22H24N2O5Se/c1-28-21(25)22(30-17-8-3-2-4-9-17)12-14-23-13-11-19(20(22)23)29-15-16-7-5-6-10-18(16)24(26)27/h2-10,19-20H,11-15H2,1H3
InChIKey
OQNVMRDYJBWLEG-UHFFFAOYSA-N
Compound name
methyl 7-[(2-nitrophenyl)methoxy]-1-phenylselanyl-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.08505 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.09233 211.2
[M+Na]+ 499.07427 213.2
[M-H]- 475.07777 219.2
[M+NH4]+ 494.11887 224.1
[M+K]+ 515.04821 205.3
[M+H-H2O]+ 459.08231 206.0
[M+HCOO]- 521.08325 229.1
[M+CH3COO]- 535.09890 218.1
[M+Na-2H]- 497.05972 210.5
[M]+ 476.08450 209.7
[M]- 476.08560 209.7
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.