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]+ 395.23293 200.4
[M+Na]+ 417.21487 203.2
[M-H]- 393.21837 207.0
[M+NH4]+ 412.25947 211.3
[M+K]+ 433.18881 199.0
[M+H-H2O]+ 377.22291 190.1
[M+HCOO]- 439.22385 224.0
[M+CH3COO]- 453.23950 230.1
[M+Na-2H]- 415.20032 200.4
[M]+ 394.22510 204.7
[M]- 394.22620 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.