CID 9630982

4-(2-nonanoylcarbohydrazonoyl)phenyl 3-methylbenzoate

Structural Information

Molecular Formula
C24H30N2O3
SMILES
CCCCCCCCC(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC(=C2)C
InChI
InChI=1S/C24H30N2O3/c1-3-4-5-6-7-8-12-23(27)26-25-18-20-13-15-22(16-14-20)29-24(28)21-11-9-10-19(2)17-21/h9-11,13-18H,3-8,12H2,1-2H3,(H,26,27)/b25-18+
InChIKey
CFZLHIAEOLNXOH-XIEYBQDHSA-N
Compound name
[4-[(E)-(nonanoylhydrazinylidene)methyl]phenyl] 3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.22565 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.232926 200.4
[M+Na]+ 417.214868 203.2
[M-H]- 393.218374 207.0
[M+NH4]+ 412.259473 211.3
[M+K]+ 433.188808 199.0
[M+H-H2O]+ 377.222910 190.1
[M+HCOO]- 439.223851 224.0
[M+CH3COO]- 453.239501 230.1
[M+Na-2H]- 415.200316 200.4
[M]+ 394.22510142 204.7
[M]- 394.22619858 204.7
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.