CID 9636624

4-(2-decanoylcarbohydrazonoyl)-2-ethoxyphenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C27H36N2O5
SMILES
CCCCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)OC)OCC
InChI
InChI=1S/C27H36N2O5/c1-4-6-7-8-9-10-11-12-26(30)29-28-20-21-13-18-24(25(19-21)33-5-2)34-27(31)22-14-16-23(32-3)17-15-22/h13-20H,4-12H2,1-3H3,(H,29,30)/b28-20+
InChIKey
NSVMWCZOXGVPQP-VFCFBJKWSA-N
Compound name
[4-[(E)-(decanoylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.26242 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.269696 218.9
[M+Na]+ 491.251638 220.8
[M-H]- 467.255144 225.1
[M+NH4]+ 486.296243 226.7
[M+K]+ 507.225578 217.5
[M+H-H2O]+ 451.259680 207.6
[M+HCOO]- 513.260621 241.7
[M+CH3COO]- 527.276271 244.3
[M+Na-2H]- 489.237086 217.0
[M]+ 468.26187142 227.4
[M]- 468.26296858 227.4
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.