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 152.2
[M+Na]+ 253.14237 159.3
[M-H]- 229.14587 153.7
[M+NH4]+ 248.18697 167.6
[M+K]+ 269.11631 153.5
[M+H-H2O]+ 213.15041 143.0
[M+HCOO]- 275.15135 169.6
[M+CH3COO]- 289.16700 162.7
[M+Na-2H]- 251.12782 156.7
[M]+ 230.15260 146.6
[M]- 230.15370 146.6
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.