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 200.6
[M+Na]+ 417.21487 211.2
[M+NH4]+ 412.25947 206.0
[M+K]+ 433.18881 202.9
[M-H]- 393.21837 204.7
[M+Na-2H]- 415.20032 206.7
[M]+ 394.22510 203.0
[M]- 394.22620 203.0
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.