CID 9688786

4-(2-(aminocarbonyl)carbohydrazonoyl)-2-ethoxyphenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C18H19N3O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)N)OC(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C18H19N3O5/c1-3-25-16-10-12(11-20-21-18(19)23)4-9-15(16)26-17(22)13-5-7-14(24-2)8-6-13/h4-11H,3H2,1-2H3,(H3,19,21,23)/b20-11+
InChIKey
JUZVQNVGYWUWLW-RGVLZGJSSA-N
Compound name
[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.13248 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.139756 182.3
[M+Na]+ 380.121698 187.4
[M-H]- 356.125204 189.8
[M+NH4]+ 375.166303 194.1
[M+K]+ 396.095638 185.9
[M+H-H2O]+ 340.129740 172.5
[M+HCOO]- 402.130681 208.7
[M+CH3COO]- 416.146331 222.8
[M+Na-2H]- 378.107146 184.5
[M]+ 357.13193142 186.0
[M]- 357.13302858 186.0
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.