CID 63636175

3-[2-(2-aminoethyl)-1h-1,3-benzodiazol-1-yl]-n-methylpropanamide dihydrochloride

Structural Information

Molecular Formula
C13H18N4O
SMILES
CNC(=O)CCN1C2=CC=CC=C2N=C1CCN
InChI
InChI=1S/C13H18N4O/c1-15-13(18)7-9-17-11-5-3-2-4-10(11)16-12(17)6-8-14/h2-5H,6-9,14H2,1H3,(H,15,18)
InChIKey
XQSLOYKICFJIRE-UHFFFAOYSA-N
Compound name
3-[2-(2-aminoethyl)benzimidazol-1-yl]-N-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.14806 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.15534 156.3
[M+Na]+ 269.13728 164.5
[M-H]- 245.14078 158.2
[M+NH4]+ 264.18188 173.4
[M+K]+ 285.11122 160.6
[M+H-H2O]+ 229.14532 148.1
[M+HCOO]- 291.14626 179.9
[M+CH3COO]- 305.16191 198.7
[M+Na-2H]- 267.12273 161.4
[M]+ 246.14751 158.1
[M]- 246.14861 158.1
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.