CID 9638982

4-(2-dodecanoylcarbohydrazonoyl)-2-ethoxyphenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C29H40N2O5
SMILES
CCCCCCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)OC)OCC
InChI
InChI=1S/C29H40N2O5/c1-4-6-7-8-9-10-11-12-13-14-28(32)31-30-22-23-15-20-26(27(21-23)35-5-2)36-29(33)24-16-18-25(34-3)19-17-24/h15-22H,4-14H2,1-3H3,(H,31,32)/b30-22+
InChIKey
FHMLVWWZYMWIRF-JBASAIQMSA-N
Compound name
[4-[(E)-(dodecanoylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.29373 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.30101 227.6
[M+Na]+ 519.28295 228.6
[M-H]- 495.28645 233.4
[M+NH4]+ 514.32755 234.2
[M+K]+ 535.25689 225.0
[M+H-H2O]+ 479.29099 215.9
[M+HCOO]- 541.29193 249.7
[M+CH3COO]- 555.30758 250.1
[M+Na-2H]- 517.26840 224.7
[M]+ 496.29318 236.8
[M]- 496.29428 236.8
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.