CID 63637358

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

Structural Information

Molecular Formula
C12H16N4O
SMILES
C1=CC=C2C(=C1)N=C(N2CCC(=O)N)CCN
InChI
InChI=1S/C12H16N4O/c13-7-5-12-15-9-3-1-2-4-10(9)16(12)8-6-11(14)17/h1-4H,5-8,13H2,(H2,14,17)
InChIKey
FJGOUZHTBZUXOS-UHFFFAOYSA-N
Compound name
3-[2-(2-aminoethyl)benzimidazol-1-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.13242 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.13970 151.6
[M+Na]+ 255.12164 162.1
[M+NH4]+ 250.16624 158.4
[M+K]+ 271.09558 158.4
[M-H]- 231.12514 152.9
[M+Na-2H]- 253.10709 156.2
[M]+ 232.13187 153.1
[M]- 232.13297 153.1
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.