CID 135437616

137205-03-9

Structural Information

Molecular Formula
C17H17N3O4
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)CNC(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C17H17N3O4/c1-24-15-9-12(7-8-14(15)21)10-19-20-16(22)11-18-17(23)13-5-3-2-4-6-13/h2-10,21H,11H2,1H3,(H,18,23)(H,20,22)/b19-10+
InChIKey
JGXJXTXKNQSLQK-VXLYETTFSA-N
Compound name
N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.12192 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.129196 174.5
[M+Na]+ 350.111138 179.0
[M-H]- 326.114644 181.1
[M+NH4]+ 345.155743 187.0
[M+K]+ 366.085078 176.3
[M+H-H2O]+ 310.119180 165.2
[M+HCOO]- 372.120121 200.3
[M+CH3COO]- 386.135771 214.5
[M+Na-2H]- 348.096586 178.5
[M]+ 327.12137142 175.3
[M]- 327.12246858 175.3
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.