CID 2737193

1235439-79-8

Structural Information

Molecular Formula
C11H14N4
SMILES
C1CN(CCN1)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C11H14N4/c1-2-4-10-9(3-1)13-11(14-10)15-7-5-12-6-8-15/h1-4,12H,5-8H2,(H,13,14)
InChIKey
NZXGDKLTTHIYTB-UHFFFAOYSA-N
Compound name
2-piperazin-1-yl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

231
Patents

202.12184 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.129116 144.9
[M+Na]+ 225.111058 152.4
[M-H]- 201.114564 144.1
[M+NH4]+ 220.155663 159.6
[M+K]+ 241.084998 146.5
[M+H-H2O]+ 185.119100 135.4
[M+HCOO]- 247.120041 159.7
[M+CH3COO]- 261.135691 155.1
[M+Na-2H]- 223.096506 150.9
[M]+ 202.12129142 138.5
[M]- 202.12238858 138.5
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