CID 16773261

N-[3-(aminomethyl)phenyl]furan-2-carboxamide hydrochloride

Structural Information

Molecular Formula
C12H12N2O2
SMILES
C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)CN
InChI
InChI=1S/C12H12N2O2/c13-8-9-3-1-4-10(7-9)14-12(15)11-5-2-6-16-11/h1-7H,8,13H2,(H,14,15)
InChIKey
YFHUTGIMZXHIFQ-UHFFFAOYSA-N
Compound name
N-[3-(aminomethyl)phenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

216.08987 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.097146 147.1
[M+Na]+ 239.079088 153.7
[M-H]- 215.082594 154.3
[M+NH4]+ 234.123693 164.9
[M+K]+ 255.053028 151.9
[M+H-H2O]+ 199.087130 139.9
[M+HCOO]- 261.088071 173.0
[M+CH3COO]- 275.103721 189.7
[M+Na-2H]- 237.064536 152.4
[M]+ 216.08932142 146.2
[M]- 216.09041858 146.2
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

patents stripe