CID 6370371

Nsc638111

Structural Information

Molecular Formula
C19H18O4Se
SMILES
CCOC(=O)/C(=C\C1=CC=C(C=C1)C(=O)OC)/[Se]C2=CC=CC=C2
InChI
InChI=1S/C19H18O4Se/c1-3-23-19(21)17(24-16-7-5-4-6-8-16)13-14-9-11-15(12-10-14)18(20)22-2/h4-13H,3H2,1-2H3/b17-13+
InChIKey
NZZLZMWIGFYUTG-GHRIWEEISA-N
Compound name
methyl 4-[(E)-3-ethoxy-3-oxo-2-phenylselanylprop-1-enyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.03702 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.04430 189.7
[M+Na]+ 413.02624 194.0
[M-H]- 389.02974 195.1
[M+NH4]+ 408.07084 202.4
[M+K]+ 429.00018 190.5
[M+H-H2O]+ 373.03428 180.5
[M+HCOO]- 435.03522 209.7
[M+CH3COO]- 449.05087 209.7
[M+Na-2H]- 411.01169 188.9
[M]+ 390.03647 192.7
[M]- 390.03757 192.7
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.