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]+ 233.139696 151.7
[M+Na]+ 255.121638 160.3
[M-H]- 231.125144 153.2
[M+NH4]+ 250.166243 169.0
[M+K]+ 271.095578 156.2
[M+H-H2O]+ 215.129680 143.8
[M+HCOO]- 277.130621 175.1
[M+CH3COO]- 291.146271 195.8
[M+Na-2H]- 253.107086 156.3
[M]+ 232.13187142 152.2
[M]- 232.13296858 152.2
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.