CID 6449011

160282-30-4

Structural Information

Molecular Formula
C19H18N2O3
SMILES
CCOC(=O)/C=C\C(=O)NN=C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C19H18N2O3/c1-2-24-18(23)14-13-17(22)20-21-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14H,2H2,1H3,(H,20,22)/b14-13-
InChIKey
ZUBFSEWUFGRIGK-YPKPFQOOSA-N
Compound name
ethyl (Z)-4-(2-benzhydrylidenehydrazinyl)-4-oxobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.13174 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.139016 177.3
[M+Na]+ 345.120958 180.7
[M-H]- 321.124464 184.3
[M+NH4]+ 340.165563 190.5
[M+K]+ 361.094898 177.4
[M+H-H2O]+ 305.129000 167.9
[M+HCOO]- 367.129941 201.9
[M+CH3COO]- 381.145591 212.3
[M+Na-2H]- 343.106406 180.3
[M]+ 322.13119142 177.7
[M]- 322.13228858 177.7
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.