CID 13656986

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

Structural Information

Molecular Formula
C18H28N4O
SMILES
CCN1CCN(CC1)CC2=NC3=CC=CC=C3N2CCOCC
InChI
InChI=1S/C18H28N4O/c1-3-20-9-11-21(12-10-20)15-18-19-16-7-5-6-8-17(16)22(18)13-14-23-4-2/h5-8H,3-4,9-15H2,1-2H3
InChIKey
SVIOIVOJGBJALX-UHFFFAOYSA-N
Compound name
1-(2-ethoxyethyl)-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

316.22632 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.23360 179.4
[M+Na]+ 339.21554 192.3
[M+NH4]+ 334.26014 186.2
[M+K]+ 355.18948 186.0
[M-H]- 315.21904 181.4
[M+Na-2H]- 337.20099 184.6
[M]+ 316.22577 181.7
[M]- 316.22687 181.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe