CID 1133223

2-(piperidin-1-ylmethyl)-1h-1,3-benzodiazol-6-amine

Structural Information

Molecular Formula
C13H18N4
SMILES
C1CCN(CC1)CC2=NC3=C(N2)C=C(C=C3)N
InChI
InChI=1S/C13H18N4/c14-10-4-5-11-12(8-10)16-13(15-11)9-17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9,14H2,(H,15,16)
InChIKey
BOCXJGQDJLZNQU-UHFFFAOYSA-N
Compound name
2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.15315 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.16043 152.7
[M+Na]+ 253.14237 164.9
[M+NH4]+ 248.18697 160.8
[M+K]+ 269.11631 159.7
[M-H]- 229.14587 155.7
[M+Na-2H]- 251.12782 159.2
[M]+ 230.15260 155.1
[M]- 230.15370 155.1
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.