CID 3069783

85145-38-6

Structural Information

Molecular Formula
C15H18N4
SMILES
C1CCN(CC1)C2=NC3=CC=CC=C3N2CCC#N
InChI
InChI=1S/C15H18N4/c16-9-6-12-19-14-8-3-2-7-13(14)17-15(19)18-10-4-1-5-11-18/h2-3,7-8H,1,4-6,10-12H2
InChIKey
ICRROJRFHVTJTF-UHFFFAOYSA-N
Compound name
3-(2-piperidin-1-ylbenzimidazol-1-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.15315 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.16043 156.8
[M+Na]+ 277.14237 166.1
[M-H]- 253.14587 157.7
[M+NH4]+ 272.18697 170.1
[M+K]+ 293.11631 158.7
[M+H-H2O]+ 237.15041 139.9
[M+HCOO]- 299.15135 170.9
[M+CH3COO]- 313.16700 165.8
[M+Na-2H]- 275.12782 160.4
[M]+ 254.15260 149.7
[M]- 254.15370 149.7
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

No patent data available for this compound.