CID 510033

1-methyl-3-phenethyl-benzimidazole-2-selone

Structural Information

Molecular Formula
C16H16N2Se
SMILES
CN1C2=CC=CC=C2N(C1=[Se])CCC3=CC=CC=C3
InChI
InChI=1S/C16H16N2Se/c1-17-14-9-5-6-10-15(14)18(16(17)19)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKey
FIAQOPLDLDMHHH-UHFFFAOYSA-N
Compound name
1-methyl-3-(2-phenylethyl)benzimidazole-2-selone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.04788 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.05516 170.0
[M+Na]+ 339.03710 180.4
[M-H]- 315.04060 175.1
[M+NH4]+ 334.08170 187.1
[M+K]+ 355.01104 173.6
[M+H-H2O]+ 299.04514 160.6
[M+HCOO]- 361.04608 192.2
[M+CH3COO]- 375.06173 182.0
[M+Na-2H]- 337.02255 174.1
[M]+ 316.04733 172.5
[M]- 316.04843 172.5
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.