CID 51060565

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

Structural Information

Molecular Formula
C33H47ClN2O4
SMILES
CCCCCCCCCCCCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)Cl)OC
InChI
InChI=1S/C33H47ClN2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32(37)36-35-26-27-19-24-30(31(25-27)39-2)40-33(38)28-20-22-29(34)23-21-28/h19-26H,3-18H2,1-2H3,(H,36,37)/b35-26+
InChIKey
OYKKRHVUSVKTDM-MDAYZVFASA-N
Compound name
[2-methoxy-4-[(E)-(octadecanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.32245 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.32973 248.6
[M+Na]+ 593.31167 257.9
[M+NH4]+ 588.35627 252.1
[M+K]+ 609.28561 247.4
[M-H]- 569.31517 251.8
[M+Na-2H]- 591.29712 251.7
[M]+ 570.32190 250.8
[M]- 570.32300 250.8
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.