CID 9639671

1-(2-decanoylcarbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C30H36N2O5
SMILES
CCCCCCCCCC(=O)N/N=C/C1=C(C=CC2=CC=CC=C21)OC(=O)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C30H36N2O5/c1-4-5-6-7-8-9-10-15-29(33)32-31-21-25-24-14-12-11-13-22(24)16-18-26(25)37-30(34)23-17-19-27(35-2)28(20-23)36-3/h11-14,16-21H,4-10,15H2,1-3H3,(H,32,33)/b31-21+
InChIKey
UASDOGJVECUCOK-NJZRLIGZSA-N
Compound name
[1-[(E)-(decanoylhydrazinylidene)methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.26242 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.26970 227.9
[M+Na]+ 527.25164 230.3
[M-H]- 503.25514 234.9
[M+NH4]+ 522.29624 235.0
[M+K]+ 543.22558 226.3
[M+H-H2O]+ 487.25968 216.1
[M+HCOO]- 549.26062 249.1
[M+CH3COO]- 563.27627 252.0
[M+Na-2H]- 525.23709 227.0
[M]+ 504.26187 236.2
[M]- 504.26297 236.2
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.