CID 3071014

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

Structural Information

Molecular Formula
C17H26N4O
SMILES
CCCOCCN1C2=CC=CC=C2N=C1N3CCN(CC3)C
InChI
InChI=1S/C17H26N4O/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/h4-7H,3,8-14H2,1-2H3
InChIKey
CREJYBWCIFECIG-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-1-(2-propoxyethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

302.21066 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.21794 175.5
[M+Na]+ 325.19988 182.7
[M-H]- 301.20338 177.0
[M+NH4]+ 320.24448 187.9
[M+K]+ 341.17382 177.6
[M+H-H2O]+ 285.20792 164.4
[M+HCOO]- 347.20886 191.2
[M+CH3COO]- 361.22451 184.8
[M+Na-2H]- 323.18533 177.5
[M]+ 302.21011 176.7
[M]- 302.21121 176.7
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