CID 16770976

3-(aminomethyl)-n-(furan-2-ylmethyl)benzamide hydrochloride

Structural Information

Molecular Formula
C13H14N2O2
SMILES
C1=CC(=CC(=C1)C(=O)NCC2=CC=CO2)CN
InChI
InChI=1S/C13H14N2O2/c14-8-10-3-1-4-11(7-10)13(16)15-9-12-5-2-6-17-12/h1-7H,8-9,14H2,(H,15,16)
InChIKey
CQUUZMGVVVHKGB-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-N-(furan-2-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

230.10553 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 153.2
[M+Na]+ 253.09475 163.9
[M+NH4]+ 248.13935 160.8
[M+K]+ 269.06869 159.9
[M-H]- 229.09825 158.5
[M+Na-2H]- 251.08020 159.9
[M]+ 230.10498 155.9
[M]- 230.10608 155.9
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.