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]+ 481.30608 225.1
[M+Na]+ 503.28802 225.4
[M-H]- 479.29152 230.5
[M+NH4]+ 498.33262 232.1
[M+K]+ 519.26196 220.8
[M+H-H2O]+ 463.29606 213.4
[M+HCOO]- 525.29700 247.0
[M+CH3COO]- 539.31265 246.7
[M+Na-2H]- 501.27347 222.6
[M]+ 480.29825 232.4
[M]- 480.29935 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.