CID 3071008

1-(2-ethoxyethyl)-2-(1-piperazinyl)-1h-benzimidazole (e)-2-butenedioate (2:3)

Structural Information

Molecular Formula
C15H22N4O
SMILES
CCOCCN1C2=CC=CC=C2N=C1N3CCNCC3
InChI
InChI=1S/C15H22N4O/c1-2-20-12-11-19-14-6-4-3-5-13(14)17-15(19)18-9-7-16-8-10-18/h3-6,16H,2,7-12H2,1H3
InChIKey
BGYDYFZTTYHHAL-UHFFFAOYSA-N
Compound name
1-(2-ethoxyethyl)-2-piperazin-1-ylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

274.17935 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.18663 165.9
[M+Na]+ 297.16857 172.7
[M-H]- 273.17207 166.1
[M+NH4]+ 292.21317 178.6
[M+K]+ 313.14251 167.3
[M+H-H2O]+ 257.17661 155.4
[M+HCOO]- 319.17755 180.9
[M+CH3COO]- 333.19320 175.2
[M+Na-2H]- 295.15402 169.4
[M]+ 274.17880 164.3
[M]- 274.17990 164.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe