CID 785196

N-(4-methylphenyl)furan-2-carboxamide

Structural Information

Molecular Formula
C12H11NO2
SMILES
CC1=CC=C(C=C1)NC(=O)C2=CC=CO2
InChI
InChI=1S/C12H11NO2/c1-9-4-6-10(7-5-9)13-12(14)11-3-2-8-15-11/h2-8H,1H3,(H,13,14)
InChIKey
ZYJTZRHZTQZSNP-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

61
Patents

201.07898 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 142.7
[M+Na]+ 224.06820 150.3
[M-H]- 200.07170 150.6
[M+NH4]+ 219.11280 161.9
[M+K]+ 240.04214 148.9
[M+H-H2O]+ 184.07624 136.2
[M+HCOO]- 246.07718 168.4
[M+CH3COO]- 260.09283 185.3
[M+Na-2H]- 222.05365 148.7
[M]+ 201.07843 143.6
[M]- 201.07953 143.6
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