CID 9588791

2-butenedioic acid (z)-, mono(((4-methoxyphenyl)phenylmethylene)hydrazide)

Structural Information

Molecular Formula
C18H16N2O4
SMILES
COC1=CC=C(C=C1)/C(=N/NC(=O)/C=C\C(=O)O)/C2=CC=CC=C2
InChI
InChI=1S/C18H16N2O4/c1-24-15-9-7-14(8-10-15)18(13-5-3-2-4-6-13)20-19-16(21)11-12-17(22)23/h2-12H,1H3,(H,19,21)(H,22,23)/b12-11-,20-18+
InChIKey
TYLPNIGEQLIOTA-ZQXPJFHISA-N
Compound name
(Z)-4-[(2E)-2-[(4-methoxyphenyl)-phenylmethylidene]hydrazinyl]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.111 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11828 176.0
[M+Na]+ 347.10022 186.0
[M+NH4]+ 342.14482 181.0
[M+K]+ 363.07416 180.6
[M-H]- 323.10372 178.7
[M+Na-2H]- 345.08567 182.4
[M]+ 324.11045 177.7
[M]- 324.11155 177.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.