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

literature stripe

Patent stripe

patents stripe