CID 13656988

1-piperazineethanol, 4-((1-(2-ethoxyethyl)-1h-benzimidazol-2-yl)methyl)-, (e)-2-butenedioate (2:3) (salt)

Structural Information

Molecular Formula
C18H28N4O2
SMILES
CCOCCN1C2=CC=CC=C2N=C1CN3CCN(CC3)CCO
InChI
InChI=1S/C18H28N4O2/c1-2-24-14-12-22-17-6-4-3-5-16(17)19-18(22)15-21-9-7-20(8-10-21)11-13-23/h3-6,23H,2,7-15H2,1H3
InChIKey
SRBRYARFJWVLTJ-UHFFFAOYSA-N
Compound name
2-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

332.22122 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.22850 182.5
[M+Na]+ 355.21044 188.6
[M-H]- 331.21394 182.5
[M+NH4]+ 350.25504 192.9
[M+K]+ 371.18438 183.1
[M+H-H2O]+ 315.21848 171.5
[M+HCOO]- 377.21942 196.5
[M+CH3COO]- 391.23507 208.1
[M+Na-2H]- 353.19589 183.7
[M]+ 332.22067 183.6
[M]- 332.22177 183.6
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