CID 13656985

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

Structural Information

Molecular Formula
C17H26N4O
SMILES
CCOCCN1C2=CC=CC=C2N=C1CN3CCN(CC3)C
InChI
InChI=1S/C17H26N4O/c1-3-22-13-12-21-16-7-5-4-6-15(16)18-17(21)14-20-10-8-19(2)9-11-20/h4-7H,3,8-14H2,1-2H3
InChIKey
STFVNPFYNRAEDE-UHFFFAOYSA-N
Compound name
1-(2-ethoxyethyl)-2-[(4-methylpiperazin-1-yl)methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

302.21066 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.21794 175.5
[M+Na]+ 325.19988 182.7
[M-H]- 301.20338 177.0
[M+NH4]+ 320.24448 187.9
[M+K]+ 341.17382 177.6
[M+H-H2O]+ 285.20792 164.4
[M+HCOO]- 347.20886 191.2
[M+CH3COO]- 361.22451 184.8
[M+Na-2H]- 323.18533 177.5
[M]+ 302.21011 176.7
[M]- 302.21121 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

No literature data available for this compound.

Patent stripe

patents stripe