CID 51060521

2-methoxy-4-(2-tetradecanoylcarbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C29H40N2O4
SMILES
CCCCCCCCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2)OC
InChI
InChI=1S/C29H40N2O4/c1-3-4-5-6-7-8-9-10-11-12-16-19-28(32)31-30-23-24-20-21-26(27(22-24)34-2)35-29(33)25-17-14-13-15-18-25/h13-15,17-18,20-23H,3-12,16,19H2,1-2H3,(H,31,32)/b30-23+
InChIKey
RUPXOQBPYWAMRT-JJKYIXSRSA-N
Compound name
[2-methoxy-4-[(E)-(tetradecanoylhydrazinylidene)methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.2988 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.306076 225.1
[M+Na]+ 503.288018 225.4
[M-H]- 479.291524 230.5
[M+NH4]+ 498.332623 232.1
[M+K]+ 519.261958 220.8
[M+H-H2O]+ 463.296060 213.4
[M+HCOO]- 525.297001 247.0
[M+CH3COO]- 539.312651 246.7
[M+Na-2H]- 501.273466 222.6
[M]+ 480.29825142 232.4
[M]- 480.29934858 232.4
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.