CID 466080

4-[2-[1-(diethylaminomethyl)benzimidazol-2-yl]vinyl]phenol

Structural Information

Molecular Formula
C20H23N3O
SMILES
CCN(CC)CN1C2=CC=CC=C2N=C1C=CC3=CC=C(C=C3)O
InChI
InChI=1S/C20H23N3O/c1-3-22(4-2)15-23-19-8-6-5-7-18(19)21-20(23)14-11-16-9-12-17(24)13-10-16/h5-14,24H,3-4,15H2,1-2H3
InChIKey
APLVYZSJOOQBIS-UHFFFAOYSA-N
Compound name
4-[2-[1-(diethylaminomethyl)benzimidazol-2-yl]ethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1841 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.19138 178.9
[M+Na]+ 344.17332 187.0
[M-H]- 320.17682 184.2
[M+NH4]+ 339.21792 193.3
[M+K]+ 360.14726 181.0
[M+H-H2O]+ 304.18136 169.3
[M+HCOO]- 366.18230 201.0
[M+CH3COO]- 380.19795 212.2
[M+Na-2H]- 342.15877 182.2
[M]+ 321.18355 182.5
[M]- 321.18465 182.5
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.