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]+ 394.24892 200.6
[M+Na]+ 416.23086 207.5
[M-H]- 392.23436 206.8
[M+NH4]+ 411.27546 212.5
[M+K]+ 432.20480 202.7
[M+H-H2O]+ 376.23890 190.0
[M+HCOO]- 438.23984 221.7
[M+CH3COO]- 452.25549 231.1
[M+Na-2H]- 414.21631 200.3
[M]+ 393.24109 208.5
[M]- 393.24219 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.