CID 3071004

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

Structural Information

Molecular Formula
C16H24N4O
SMILES
CCOCCN1C2=CC=CC=C2N=C1N3CCN(CC3)C
InChI
InChI=1S/C16H24N4O/c1-3-21-13-12-20-15-7-5-4-6-14(15)17-16(20)19-10-8-18(2)9-11-19/h4-7H,3,8-13H2,1-2H3
InChIKey
GARASDOODWWZMF-UHFFFAOYSA-N
Compound name
1-(2-ethoxyethyl)-2-(4-methylpiperazin-1-yl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

288.195 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.20228 171.1
[M+Na]+ 311.18422 178.7
[M-H]- 287.18772 172.8
[M+NH4]+ 306.22882 184.1
[M+K]+ 327.15816 173.9
[M+H-H2O]+ 271.19226 160.2
[M+HCOO]- 333.19320 187.1
[M+CH3COO]- 347.20885 180.9
[M+Na-2H]- 309.16967 173.6
[M]+ 288.19445 172.0
[M]- 288.19555 172.0
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