CID 6477133

Nsc638120

Structural Information

Molecular Formula
C18H18O3Se
SMILES
CCOC(=O)/C(=C/C1=CC(=CC=C1)OC)/[Se]C2=CC=CC=C2
InChI
InChI=1S/C18H18O3Se/c1-3-21-18(19)17(22-16-10-5-4-6-11-16)13-14-8-7-9-15(12-14)20-2/h4-13H,3H2,1-2H3/b17-13-
InChIKey
IOEWWNWEWYYPSB-LGMDPLHJSA-N
Compound name
ethyl (Z)-3-(3-methoxyphenyl)-2-phenylselanylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.0421 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.04938 183.3
[M+Na]+ 385.03132 188.1
[M-H]- 361.03482 188.8
[M+NH4]+ 380.07592 197.4
[M+K]+ 401.00526 184.2
[M+H-H2O]+ 345.03936 174.2
[M+HCOO]- 407.04030 204.3
[M+CH3COO]- 421.05595 205.2
[M+Na-2H]- 383.01677 184.1
[M]+ 362.04155 185.9
[M]- 362.04265 185.9
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.