CID 9603365

223676-17-3

Structural Information

Molecular Formula
C16H17N3O5
SMILES
COC1=C(C=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=CO2)OC
InChI
InChI=1S/C16H17N3O5/c1-22-13-6-5-11(8-14(13)23-2)16(21)17-10-15(20)19-18-9-12-4-3-7-24-12/h3-9H,10H2,1-2H3,(H,17,21)(H,19,20)/b18-9+
InChIKey
YJHACQYJACPSDQ-GIJQJNRQSA-N
Compound name
N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

331.11682 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.12410 175.9
[M+Na]+ 354.10604 180.9
[M-H]- 330.10954 184.8
[M+NH4]+ 349.15064 189.5
[M+K]+ 370.07998 180.8
[M+H-H2O]+ 314.11408 167.0
[M+HCOO]- 376.11502 203.5
[M+CH3COO]- 390.13067 216.0
[M+Na-2H]- 352.09149 179.5
[M]+ 331.11627 180.9
[M]- 331.11737 180.9
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