CID 51061047

4-(2-stearoylcarbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C32H46N2O3
SMILES
CCCCCCCCCCCCCCCCCC(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C32H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-31(35)34-33-27-28-23-25-30(26-24-28)37-32(36)29-20-17-16-18-21-29/h16-18,20-21,23-27H,2-15,19,22H2,1H3,(H,34,35)/b33-27+
InChIKey
AWAZAISIEAIOSR-MUGXBBEHSA-N
Compound name
[4-[(E)-(octadecanoylhydrazinylidene)methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.35083 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.35811 235.1
[M+Na]+ 529.34005 233.4
[M-H]- 505.34355 239.5
[M+NH4]+ 524.38465 240.9
[M+K]+ 545.31399 227.3
[M+H-H2O]+ 489.34809 222.9
[M+HCOO]- 551.34903 255.9
[M+CH3COO]- 565.36468 252.1
[M+Na-2H]- 527.32550 231.7
[M]+ 506.35028 241.7
[M]- 506.35138 241.7
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.