CID 15956505

1-[[1-(2-dimethylaminoethyl)benzimidazol-2-yl]methyl]-3-[3-(dimethylamino)propyl]benzimidazol-2-one

Structural Information

Molecular Formula
C24H32N6O
SMILES
CN(C)CCCN1C2=CC=CC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CCN(C)C
InChI
InChI=1S/C24H32N6O/c1-26(2)14-9-15-29-21-12-7-8-13-22(21)30(24(29)31)18-23-25-19-10-5-6-11-20(19)28(23)17-16-27(3)4/h5-8,10-13H,9,14-18H2,1-4H3
InChIKey
YACWSUAIRQUECC-UHFFFAOYSA-N
Compound name
1-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-3-[3-(dimethylamino)propyl]benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

420.26376 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.27104 206.2
[M+Na]+ 443.25298 215.4
[M-H]- 419.25648 213.6
[M+NH4]+ 438.29758 217.8
[M+K]+ 459.22692 210.1
[M+H-H2O]+ 403.26102 194.7
[M+HCOO]- 465.26196 228.8
[M+CH3COO]- 479.27761 216.0
[M+Na-2H]- 441.23843 207.1
[M]+ 420.26321 216.3
[M]- 420.26431 216.3
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.