CID 510039

2-(1-ethyl-3-phenethyl-2h-benzimidazol-2-yl)acetonitrile

Structural Information

Molecular Formula
C19H21N3
SMILES
CCN1C(N(C2=CC=CC=C21)CCC3=CC=CC=C3)CC#N
InChI
InChI=1S/C19H21N3/c1-2-21-17-10-6-7-11-18(17)22(19(21)12-14-20)15-13-16-8-4-3-5-9-16/h3-11,19H,2,12-13,15H2,1H3
InChIKey
MEDSBFZPUMCWHN-UHFFFAOYSA-N
Compound name
2-[1-ethyl-3-(2-phenylethyl)-2H-benzimidazol-2-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.17355 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.18083 170.5
[M+Na]+ 314.16277 180.4
[M-H]- 290.16627 173.1
[M+NH4]+ 309.20737 184.3
[M+K]+ 330.13671 171.8
[M+H-H2O]+ 274.17081 154.4
[M+HCOO]- 336.17175 186.1
[M+CH3COO]- 350.18740 179.6
[M+Na-2H]- 312.14822 172.4
[M]+ 291.17300 165.9
[M]- 291.17410 165.9
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.