CID 9656965

N'-(1-methyl-3-phenyl-2-propenylidene)-2-(4-nitrophenoxy)acetohydrazide

Structural Information

Molecular Formula
C18H17N3O4
SMILES
C/C(=N\NC(=O)COC1=CC=C(C=C1)[N+](=O)[O-])/C=C/C2=CC=CC=C2
InChI
InChI=1S/C18H17N3O4/c1-14(7-8-15-5-3-2-4-6-15)19-20-18(22)13-25-17-11-9-16(10-12-17)21(23)24/h2-12H,13H2,1H3,(H,20,22)/b8-7+,19-14+
InChIKey
JWADVKZMIWXQJF-NOCLSSANSA-N
Compound name
2-(4-nitrophenoxy)-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.12192 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.129196 178.8
[M+Na]+ 362.111138 181.5
[M-H]- 338.114644 185.8
[M+NH4]+ 357.155743 190.4
[M+K]+ 378.085078 174.4
[M+H-H2O]+ 322.119180 173.6
[M+HCOO]- 384.120121 205.1
[M+CH3COO]- 398.135771 209.8
[M+Na-2H]- 360.096586 184.0
[M]+ 339.12137142 177.8
[M]- 339.12246858 177.8
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.