CID 13656993

1-(2-ethoxyethyl)-2-(4-methyl-1-homopiperazinyl)methylbenzimidazole fumarate hydrate (2:3:1)

Structural Information

Molecular Formula
C18H28N4O
SMILES
CCOCCN1C2=CC=CC=C2N=C1CN3CCCN(CC3)C
InChI
InChI=1S/C18H28N4O/c1-3-23-14-13-22-17-8-5-4-7-16(17)19-18(22)15-21-10-6-9-20(2)11-12-21/h4-5,7-8H,3,6,9-15H2,1-2H3
InChIKey
PPLHNRHAAXCUQX-UHFFFAOYSA-N
Compound name
1-(2-ethoxyethyl)-2-[(4-methyl-1,4-diazepan-1-yl)methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 177.8
[M+Na]+ 339.21554 188.4
[M+NH4]+ 334.26014 183.8
[M+K]+ 355.18948 183.9
[M-H]- 315.21904 179.3
[M+Na-2H]- 337.20099 182.6
[M]+ 316.22577 179.7
[M]- 316.22687 179.7
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