CID 6383427

Nsc638113

Structural Information

Molecular Formula
C19H21NO2Se
SMILES
CCOC(=O)/C(=C\C1=CC=C(C=C1)N(C)C)/[Se]C2=CC=CC=C2
InChI
InChI=1S/C19H21NO2Se/c1-4-22-19(21)18(23-17-8-6-5-7-9-17)14-15-10-12-16(13-11-15)20(2)3/h5-14H,4H2,1-3H3/b18-14+
InChIKey
TUNJVMLCFGMOES-NBVRZTHBSA-N
Compound name
ethyl (E)-3-[4-(dimethylamino)phenyl]-2-phenylselanylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.07376 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.08104 188.7
[M+Na]+ 398.06298 192.4
[M-H]- 374.06648 195.3
[M+NH4]+ 393.10758 202.6
[M+K]+ 414.03692 189.1
[M+H-H2O]+ 358.07102 179.1
[M+HCOO]- 420.07196 210.6
[M+CH3COO]- 434.08761 214.5
[M+Na-2H]- 396.04843 188.6
[M]+ 375.07321 190.7
[M]- 375.07431 190.7
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.