CID 3071010

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

Structural Information

Molecular Formula
C17H26N4O
SMILES
CCN1CCN(CC1)C2=NC3=CC=CC=C3N2CCOCC
InChI
InChI=1S/C17H26N4O/c1-3-19-9-11-20(12-10-19)17-18-15-7-5-6-8-16(15)21(17)13-14-22-4-2/h5-8H,3-4,9-14H2,1-2H3
InChIKey
LJZULGTXNLQGEB-UHFFFAOYSA-N
Compound name
1-(2-ethoxyethyl)-2-(4-ethylpiperazin-1-yl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

302.21066 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.217936 175.5
[M+Na]+ 325.199878 182.7
[M-H]- 301.203384 177.0
[M+NH4]+ 320.244483 187.9
[M+K]+ 341.173818 177.6
[M+H-H2O]+ 285.207920 164.4
[M+HCOO]- 347.208861 191.2
[M+CH3COO]- 361.224511 184.8
[M+Na-2H]- 323.185326 177.5
[M]+ 302.21011142 176.7
[M]- 302.21120858 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