CID 9627138

4-(2-((tetradecanoylamino)acetyl)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C32H45N3O6
SMILES
CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C32H45N3O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-30(36)33-24-31(37)35-34-23-25-16-19-27(20-17-25)41-32(38)26-18-21-28(39-2)29(22-26)40-3/h16-23H,4-15,24H2,1-3H3,(H,33,36)(H,35,37)/b34-23+
InChIKey
NRPANIDLGVFMIK-PPFNPFNJSA-N
Compound name
[4-[(E)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

567.3308 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.33808 244.6
[M+Na]+ 590.32002 243.1
[M-H]- 566.32352 249.8
[M+NH4]+ 585.36462 247.6
[M+K]+ 606.29396 240.1
[M+H-H2O]+ 550.32806 232.1
[M+HCOO]- 612.32900 266.0
[M+CH3COO]- 626.34465 265.5
[M+Na-2H]- 588.30547 240.0
[M]+ 567.33025 254.0
[M]- 567.33135 254.0
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.