CID 27293

Brn 0722676

Structural Information

Molecular Formula
C23H30N4O2
SMILES
CCN(CC)CCN1C2=C(C=C(C=C2)C(=O)C)N=C1NC3=CC=C(C=C3)OCC
InChI
InChI=1S/C23H30N4O2/c1-5-26(6-2)14-15-27-22-13-8-18(17(4)28)16-21(22)25-23(27)24-19-9-11-20(12-10-19)29-7-3/h8-13,16H,5-7,14-15H2,1-4H3,(H,24,25)
InChIKey
AFRHRAQAEFGOEN-UHFFFAOYSA-N
Compound name
1-[1-[2-(diethylamino)ethyl]-2-(4-ethoxyanilino)benzimidazol-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.23688 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.24416 198.6
[M+Na]+ 417.22610 210.8
[M+NH4]+ 412.27070 204.7
[M+K]+ 433.20004 205.0
[M-H]- 393.22960 202.7
[M+Na-2H]- 415.21155 204.8
[M]+ 394.23633 201.4
[M]- 394.23743 201.4
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.