CID 510031

1-ethyl-3-phenethyl-benzimidazole-2-selone

Structural Information

Molecular Formula
C17H18N2Se
SMILES
CCN1C2=CC=CC=C2N(C1=[Se])CCC3=CC=CC=C3
InChI
InChI=1S/C17H18N2Se/c1-2-18-15-10-6-7-11-16(15)19(17(18)20)13-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3
InChIKey
XKJWZENHTGXYTL-UHFFFAOYSA-N
Compound name
1-ethyl-3-(2-phenylethyl)benzimidazole-2-selone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.0635 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.07078 174.7
[M+Na]+ 353.05272 184.6
[M-H]- 329.05622 179.6
[M+NH4]+ 348.09732 191.2
[M+K]+ 369.02666 177.5
[M+H-H2O]+ 313.06076 165.0
[M+HCOO]- 375.06170 196.5
[M+CH3COO]- 389.07735 186.2
[M+Na-2H]- 351.03817 178.2
[M]+ 330.06295 177.5
[M]- 330.06405 177.5
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.