CID 25957

Brn 0769007

Structural Information

Molecular Formula
C24H31N3O2
SMILES
CCN(CC)CCN1C2=C(C=C(C=C2)C(=O)C)N=C1CC3=CC=C(C=C3)OCC
InChI
InChI=1S/C24H31N3O2/c1-5-26(6-2)14-15-27-23-13-10-20(18(4)28)17-22(23)25-24(27)16-19-8-11-21(12-9-19)29-7-3/h8-13,17H,5-7,14-16H2,1-4H3
InChIKey
CFGBPNSLTKLAKK-UHFFFAOYSA-N
Compound name
1-[1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.24164 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.248916 200.6
[M+Na]+ 416.230858 207.5
[M-H]- 392.234364 206.8
[M+NH4]+ 411.275463 212.5
[M+K]+ 432.204798 202.7
[M+H-H2O]+ 376.238900 190.0
[M+HCOO]- 438.239841 221.7
[M+CH3COO]- 452.255491 231.1
[M+Na-2H]- 414.216306 200.3
[M]+ 393.24109142 208.5
[M]- 393.24218858 208.5
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.