CID 3071002

1-(2-(allyloxy)ethyl)-2-(4-methyl-1-piperazinyl)benzimidazole fumarate (2:3)

Structural Information

Molecular Formula
C17H24N4O
SMILES
CN1CCN(CC1)C2=NC3=CC=CC=C3N2CCOCC=C
InChI
InChI=1S/C17H24N4O/c1-3-13-22-14-12-21-16-7-5-4-6-15(16)18-17(21)20-10-8-19(2)9-11-20/h3-7H,1,8-14H2,2H3
InChIKey
WYILGPHSTCRCRB-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-1-(2-prop-2-enoxyethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

300.195 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.20228 174.6
[M+Na]+ 323.18422 182.1
[M-H]- 299.18772 176.1
[M+NH4]+ 318.22882 187.0
[M+K]+ 339.15816 176.4
[M+H-H2O]+ 283.19226 163.6
[M+HCOO]- 345.19320 190.5
[M+CH3COO]- 359.20885 184.0
[M+Na-2H]- 321.16967 176.6
[M]+ 300.19445 175.1
[M]- 300.19555 175.1
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