CID 9643503

302910-18-5

Structural Information

Molecular Formula
C16H17N3O3
SMILES
CC1=CC(=CC=C1)NC(=O)CCC(=O)N/N=C/C2=CC=CO2
InChI
InChI=1S/C16H17N3O3/c1-12-4-2-5-13(10-12)18-15(20)7-8-16(21)19-17-11-14-6-3-9-22-14/h2-6,9-11H,7-8H2,1H3,(H,18,20)(H,19,21)/b17-11+
InChIKey
MHORJQISFZORNE-GZTJUZNOSA-N
Compound name
N'-[(E)-furan-2-ylmethylideneamino]-N-(3-methylphenyl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

299.12698 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.134256 171.1
[M+Na]+ 322.116198 175.7
[M-H]- 298.119704 179.6
[M+NH4]+ 317.160803 185.9
[M+K]+ 338.090138 174.2
[M+H-H2O]+ 282.124240 162.4
[M+HCOO]- 344.125181 198.4
[M+CH3COO]- 358.140831 210.2
[M+Na-2H]- 320.101646 175.0
[M]+ 299.12643142 173.0
[M]- 299.12752858 173.0
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.