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

2
Patents

246.14806 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.155336 156.3
[M+Na]+ 269.137278 164.5
[M-H]- 245.140784 158.2
[M+NH4]+ 264.181883 173.4
[M+K]+ 285.111218 160.6
[M+H-H2O]+ 229.145320 148.1
[M+HCOO]- 291.146261 179.9
[M+CH3COO]- 305.161911 198.7
[M+Na-2H]- 267.122726 161.4
[M]+ 246.14751142 158.1
[M]- 246.14860858 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.