CID 6376037

Nsc638112

Structural Information

Molecular Formula
C17H15NO4Se
SMILES
CCOC(=O)/C(=C\C1=CC=C(C=C1)[N+](=O)[O-])/[Se]C2=CC=CC=C2
InChI
InChI=1S/C17H15NO4Se/c1-2-22-17(19)16(23-15-6-4-3-5-7-15)12-13-8-10-14(11-9-13)18(20)21/h3-12H,2H2,1H3/b16-12+
InChIKey
LQSPNEAAJRLUSZ-FOWTUZBSSA-N
Compound name
ethyl (E)-3-(4-nitrophenyl)-2-phenylselanylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.01663 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.02391 186.0
[M+Na]+ 400.00585 189.5
[M-H]- 376.00935 191.5
[M+NH4]+ 395.05045 198.3
[M+K]+ 415.97979 181.8
[M+H-H2O]+ 360.01389 181.4
[M+HCOO]- 422.01483 208.1
[M+CH3COO]- 436.03048 201.3
[M+Na-2H]- 397.99130 188.4
[M]+ 377.01608 185.5
[M]- 377.01718 185.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.