CID 51060729

2-methoxy-4-(2-tetradecanoylcarbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C29H39ClN2O4
SMILES
CCCCCCCCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)Cl)OC
InChI
InChI=1S/C29H39ClN2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-28(33)32-31-22-23-15-20-26(27(21-23)35-2)36-29(34)24-16-18-25(30)19-17-24/h15-22H,3-14H2,1-2H3,(H,32,33)/b31-22+
InChIKey
QUFDSQXGKDCYEH-DFKUXCBWSA-N
Compound name
[2-methoxy-4-[(E)-(tetradecanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.2598 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.26708 231.9
[M+Na]+ 537.24902 234.1
[M-H]- 513.25252 237.7
[M+NH4]+ 532.29362 239.0
[M+K]+ 553.22296 227.8
[M+H-H2O]+ 497.25706 221.4
[M+HCOO]- 559.25800 249.5
[M+CH3COO]- 573.27365 251.3
[M+Na-2H]- 535.23447 228.4
[M]+ 514.25925 242.2
[M]- 514.26035 242.2
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.