CID 3071016

1h-benzimidazole, 2-(4-methyl-1-piperazinyl)-1-(2-phenoxyethyl)-, (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

4
Patents

336.195 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.202276 182.5
[M+Na]+ 359.184218 189.5
[M-H]- 335.187724 187.1
[M+NH4]+ 354.228823 192.8
[M+K]+ 375.158158 182.9
[M+H-H2O]+ 319.192260 170.0
[M+HCOO]- 381.193201 198.3
[M+CH3COO]- 395.208851 191.4
[M+Na-2H]- 357.169666 185.1
[M]+ 336.19445142 181.9
[M]- 336.19554858 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