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]+ 323.13902 177.6
[M+Na]+ 345.12096 188.2
[M+NH4]+ 340.16556 183.5
[M+K]+ 361.09490 181.4
[M-H]- 321.12446 181.3
[M+Na-2H]- 343.10641 185.1
[M]+ 322.13119 179.8
[M]- 322.13229 179.8
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.