CID 5336477

(e)-methyl 4-((2-(2,5-dimethylfuran-3-carbonyl)hydrazono)methyl)benzoate

Structural Information

Molecular Formula
C16H16N2O4
SMILES
CC1=CC(=C(O1)C)C(=O)N/N=C/C2=CC=C(C=C2)C(=O)OC
InChI
InChI=1S/C16H16N2O4/c1-10-8-14(11(2)22-10)15(19)18-17-9-12-4-6-13(7-5-12)16(20)21-3/h4-9H,1-3H3,(H,18,19)/b17-9+
InChIKey
XYSYYDJCQQFCGI-RQZCQDPDSA-N
Compound name
methyl 4-[(E)-[(2,5-dimethylfuran-3-carbonyl)hydrazinylidene]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.111 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.118276 169.9
[M+Na]+ 323.100218 177.1
[M-H]- 299.103724 179.3
[M+NH4]+ 318.144823 185.6
[M+K]+ 339.074158 176.3
[M+H-H2O]+ 283.108260 162.1
[M+HCOO]- 345.109201 196.4
[M+CH3COO]- 359.124851 209.7
[M+Na-2H]- 321.085666 172.1
[M]+ 300.11045142 174.8
[M]- 300.11154858 174.8
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

No patent data available for this compound.