CID 15956494

Chembl440763

Structural Information

Molecular Formula
C19H21N5O
SMILES
CN(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4NC3=O
InChI
InChI=1S/C19H21N5O/c1-22(2)11-12-23-16-9-5-3-7-14(16)20-18(23)13-24-17-10-6-4-8-15(17)21-19(24)25/h3-10H,11-13H2,1-2H3,(H,21,25)
InChIKey
DASNWFHQAZOALZ-UHFFFAOYSA-N
Compound name
3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

335.17462 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.18190 179.6
[M+Na]+ 358.16384 190.9
[M-H]- 334.16734 184.9
[M+NH4]+ 353.20844 193.6
[M+K]+ 374.13778 184.4
[M+H-H2O]+ 318.17188 169.7
[M+HCOO]- 380.17282 201.2
[M+CH3COO]- 394.18847 190.9
[M+Na-2H]- 356.14929 183.4
[M]+ 335.17407 185.5
[M]- 335.17517 185.5
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.