CID 34281

Furcarbanil

Structural Information

Molecular Formula
C13H13NO2
SMILES
CC1=CC(=C(O1)C)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C13H13NO2/c1-9-8-12(10(2)16-9)13(15)14-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15)
InChIKey
XEPBBUCQCXXTGR-UHFFFAOYSA-N
Compound name
2,5-dimethyl-N-phenylfuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

6769
Patents

215.09464 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10192 147.2
[M+Na]+ 238.08386 155.3
[M-H]- 214.08736 155.3
[M+NH4]+ 233.12846 166.2
[M+K]+ 254.05780 153.7
[M+H-H2O]+ 198.09190 140.8
[M+HCOO]- 260.09284 172.5
[M+CH3COO]- 274.10849 189.5
[M+Na-2H]- 236.06931 152.0
[M]+ 215.09409 148.9
[M]- 215.09519 148.9
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