CID 236716

3952-30-5

Structural Information

Molecular Formula
C12H11NO2
SMILES
C1=CC=C(C=C1)C(=O)NCC2=CC=CO2
InChI
InChI=1S/C12H11NO2/c14-12(10-5-2-1-3-6-10)13-9-11-7-4-8-15-11/h1-8H,9H2,(H,13,14)
InChIKey
FTABNBAFUSPGJJ-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

38
Patents

201.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 142.9
[M+Na]+ 224.06820 149.5
[M-H]- 200.07170 150.3
[M+NH4]+ 219.11280 161.7
[M+K]+ 240.04214 148.1
[M+H-H2O]+ 184.07624 136.1
[M+HCOO]- 246.07718 168.5
[M+CH3COO]- 260.09283 184.1
[M+Na-2H]- 222.05365 149.5
[M]+ 201.07843 143.4
[M]- 201.07953 143.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe