CID 51060406

4-(2-decanoylcarbohydrazonoyl)phenyl 2-methylbenzoate

Structural Information

Molecular Formula
C25H32N2O3
SMILES
CCCCCCCCCC(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2C
InChI
InChI=1S/C25H32N2O3/c1-3-4-5-6-7-8-9-14-24(28)27-26-19-21-15-17-22(18-16-21)30-25(29)23-13-11-10-12-20(23)2/h10-13,15-19H,3-9,14H2,1-2H3,(H,27,28)/b26-19+
InChIKey
PXKASZRFEOGOHG-LGUFXXKBSA-N
Compound name
[4-[(E)-(decanoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.2413 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.24858 205.1
[M+Na]+ 431.23052 215.4
[M+NH4]+ 426.27512 210.3
[M+K]+ 447.20446 206.8
[M-H]- 407.23402 209.1
[M+Na-2H]- 429.21597 210.9
[M]+ 408.24075 207.4
[M]- 408.24185 207.4
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.