CID 16770976

1193389-67-1

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 151.7
[M+Na]+ 253.09475 157.9
[M-H]- 229.09825 158.7
[M+NH4]+ 248.13935 169.0
[M+K]+ 269.06869 155.8
[M+H-H2O]+ 213.10279 144.3
[M+HCOO]- 275.10373 177.3
[M+CH3COO]- 289.11938 192.8
[M+Na-2H]- 251.08020 156.5
[M]+ 230.10498 151.2
[M]- 230.10608 151.2
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.