CID 6446072

Benzeneacetic acid, alpha-((3,4-dimethoxyphenyl)methylene)-, hydrazide

Structural Information

Molecular Formula
C17H18N2O3
SMILES
COC1=C(C=C(C=C1)/C=C(\C2=CC=CC=C2)/C(=O)NN)OC
InChI
InChI=1S/C17H18N2O3/c1-21-15-9-8-12(11-16(15)22-2)10-14(17(20)19-18)13-6-4-3-5-7-13/h3-11H,18H2,1-2H3,(H,19,20)/b14-10+
InChIKey
NSDSATDYELPQEX-GXDHUFHOSA-N
Compound name
(E)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.13174 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.139016 170.2
[M+Na]+ 321.120958 175.4
[M-H]- 297.124464 176.3
[M+NH4]+ 316.165563 184.1
[M+K]+ 337.094898 172.2
[M+H-H2O]+ 281.129000 161.6
[M+HCOO]- 343.129941 193.9
[M+CH3COO]- 357.145591 207.8
[M+Na-2H]- 319.106406 172.5
[M]+ 298.13119142 170.1
[M]- 298.13228858 170.1
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.