CID 2728855

Ethyl 3-(2-benzhydrylidenehydrazinyl)but-2-enoate

Structural Information

Molecular Formula
C19H20N2O2
SMILES
CCOC(=O)C=C(C)NN=C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C19H20N2O2/c1-3-23-18(22)14-15(2)20-21-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-14,20H,3H2,1-2H3
InChIKey
YWPZHGWESJVRTM-UHFFFAOYSA-N
Compound name
ethyl 3-(2-benzhydrylidenehydrazinyl)but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

308.15247 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.159746 175.3
[M+Na]+ 331.141688 178.4
[M-H]- 307.145194 182.3
[M+NH4]+ 326.186293 189.2
[M+K]+ 347.115628 175.1
[M+H-H2O]+ 291.149730 166.1
[M+HCOO]- 353.150671 199.5
[M+CH3COO]- 367.166321 211.6
[M+Na-2H]- 329.127136 178.2
[M]+ 308.15192142 175.1
[M]- 308.15301858 175.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.