CID 15956497

Chembl204482

Structural Information

Molecular Formula
C20H23N5O
SMILES
CN(C)CCCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4NC3=O
InChI
InChI=1S/C20H23N5O/c1-23(2)12-7-13-24-17-10-5-3-8-15(17)21-19(24)14-25-18-11-6-4-9-16(18)22-20(25)26/h3-6,8-11H,7,12-14H2,1-2H3,(H,22,26)
InChIKey
WSUHPGONCLLHNL-UHFFFAOYSA-N
Compound name
3-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

349.19025 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.19753 184.1
[M+Na]+ 372.17947 194.9
[M-H]- 348.18297 189.1
[M+NH4]+ 367.22407 197.5
[M+K]+ 388.15341 188.2
[M+H-H2O]+ 332.18751 173.9
[M+HCOO]- 394.18845 205.3
[M+CH3COO]- 408.20410 194.9
[M+Na-2H]- 370.16492 187.3
[M]+ 349.18970 190.2
[M]- 349.19080 190.2
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