CID 5421742

Mls000769923

Structural Information

Molecular Formula
C14H14N2O2
SMILES
CC1=C(C=CO1)C(=O)N/N=C(\C)/C2=CC=CC=C2
InChI
InChI=1S/C14H14N2O2/c1-10(12-6-4-3-5-7-12)15-16-14(17)13-8-9-18-11(13)2/h3-9H,1-2H3,(H,16,17)/b15-10+
InChIKey
XXDOALYLCLZHBY-XNTDXEJSSA-N
Compound name
2-methyl-N-[(E)-1-phenylethylideneamino]furan-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

242.10553 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11281 156.1
[M+Na]+ 265.09475 162.4
[M-H]- 241.09825 165.1
[M+NH4]+ 260.13935 173.8
[M+K]+ 281.06869 161.3
[M+H-H2O]+ 225.10279 148.5
[M+HCOO]- 287.10373 182.7
[M+CH3COO]- 301.11938 198.3
[M+Na-2H]- 263.08020 160.5
[M]+ 242.10498 157.4
[M]- 242.10608 157.4
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

No patent data available for this compound.