CID 4207659

Dtxsid701163852

Structural Information

Molecular Formula
C33H38N2O5
SMILES
CCCCCCCCCCCC(=O)NN=CC1=C(C=C(C=C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C33H38N2O5/c1-2-3-4-5-6-7-8-9-16-21-31(36)35-34-25-28-22-23-29(39-32(37)26-17-12-10-13-18-26)24-30(28)40-33(38)27-19-14-11-15-20-27/h10-15,17-20,22-25H,2-9,16,21H2,1H3,(H,35,36)
InChIKey
IQADZXNTPOPBNO-UHFFFAOYSA-N
Compound name
[3-benzoyloxy-4-[(dodecanoylhydrazinylidene)methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.2781 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.28538 238.8
[M+Na]+ 565.26732 238.0
[M-H]- 541.27082 246.9
[M+NH4]+ 560.31192 242.2
[M+K]+ 581.24126 233.3
[M+H-H2O]+ 525.27536 225.5
[M+HCOO]- 587.27630 259.7
[M+CH3COO]- 601.29195 255.8
[M+Na-2H]- 563.25277 235.8
[M]+ 542.27755 244.4
[M]- 542.27865 244.4
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.