CID 51060855

4-(2-tetradecanoylcarbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C28H38N2O3
SMILES
CCCCCCCCCCCCCC(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C28H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-15-18-27(31)30-29-23-24-19-21-26(22-20-24)33-28(32)25-16-13-12-14-17-25/h12-14,16-17,19-23H,2-11,15,18H2,1H3,(H,30,31)/b29-23+
InChIKey
OYVXAZCHPGEDLW-BYNJWEBRSA-N
Compound name
[4-[(E)-(tetradecanoylhydrazinylidene)methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.28824 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.29552 217.9
[M+Na]+ 473.27746 218.0
[M-H]- 449.28096 223.2
[M+NH4]+ 468.32206 226.0
[M+K]+ 489.25140 212.8
[M+H-H2O]+ 433.28550 206.5
[M+HCOO]- 495.28644 240.1
[M+CH3COO]- 509.30209 240.6
[M+Na-2H]- 471.26291 216.6
[M]+ 450.28769 223.1
[M]- 450.28879 223.1
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.