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]+ 300.13426 171.1
[M+Na]+ 322.11620 175.7
[M-H]- 298.11970 179.6
[M+NH4]+ 317.16080 185.9
[M+K]+ 338.09014 174.2
[M+H-H2O]+ 282.12424 162.4
[M+HCOO]- 344.12518 198.4
[M+CH3COO]- 358.14083 210.2
[M+Na-2H]- 320.10165 175.0
[M]+ 299.12643 173.0
[M]- 299.12753 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.