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]+ 303.217936 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

No literature data available for this compound.

Patent stripe

patents stripe