CID 3069491

84806-73-5

Structural Information

Molecular Formula
C15H20N4O
SMILES
CC(C)C(=O)N1CCN(CC1)C2=CC=CC3=C2N=CN3
InChI
InChI=1S/C15H20N4O/c1-11(2)15(20)19-8-6-18(7-9-19)13-5-3-4-12-14(13)17-10-16-12/h3-5,10-11H,6-9H2,1-2H3,(H,16,17)
InChIKey
MPZKTHFQUVQVIQ-UHFFFAOYSA-N
Compound name
1-[4-(1H-benzimidazol-4-yl)piperazin-1-yl]-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

272.1637 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.17098 165.7
[M+Na]+ 295.15292 172.3
[M-H]- 271.15642 166.3
[M+NH4]+ 290.19752 178.3
[M+K]+ 311.12686 167.3
[M+H-H2O]+ 255.16096 155.7
[M+HCOO]- 317.16190 178.9
[M+CH3COO]- 331.17755 174.9
[M+Na-2H]- 293.13837 167.0
[M]+ 272.16315 162.2
[M]- 272.16425 162.2
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