CID 3071016

2-(4-methyl-1-piperazinyl)-1-(2-phenoxyethyl)-1h-benzimidazole (e)-2-butenedioate (2:3)

Structural Information

Molecular Formula
C20H24N4O
SMILES
CN1CCN(CC1)C2=NC3=CC=CC=C3N2CCOC4=CC=CC=C4
InChI
InChI=1S/C20H24N4O/c1-22-11-13-23(14-12-22)20-21-18-9-5-6-10-19(18)24(20)15-16-25-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChIKey
DFQPTNCRXWRZKR-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-1-(2-phenoxyethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

336.195 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.20228 182.5
[M+Na]+ 359.18422 189.5
[M-H]- 335.18772 187.1
[M+NH4]+ 354.22882 192.8
[M+K]+ 375.15816 182.9
[M+H-H2O]+ 319.19226 170.0
[M+HCOO]- 381.19320 198.3
[M+CH3COO]- 395.20885 191.4
[M+Na-2H]- 357.16967 185.1
[M]+ 336.19445 181.9
[M]- 336.19555 181.9
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