CID 9608429

4-(2-tetradecanoylcarbohydrazonoyl)phenyl 3-phenylacrylate

Structural Information

Molecular Formula
C30H40N2O3
SMILES
CCCCCCCCCCCCCC(=O)N/N=C/C1=CC=C(C=C1)OC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C30H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-15-18-29(33)32-31-25-27-19-22-28(23-20-27)35-30(34)24-21-26-16-13-12-14-17-26/h12-14,16-17,19-25H,2-11,15,18H2,1H3,(H,32,33)/b24-21+,31-25+
InChIKey
RFNSLKSHGFJKSB-YJICEZONSA-N
Compound name
[4-[(E)-(tetradecanoylhydrazinylidene)methyl]phenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.3039 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.31118 225.6
[M+Na]+ 499.29312 225.2
[M-H]- 475.29662 230.5
[M+NH4]+ 494.33772 232.6
[M+K]+ 515.26706 218.9
[M+H-H2O]+ 459.30116 213.9
[M+HCOO]- 521.30210 247.3
[M+CH3COO]- 535.31775 245.0
[M+Na-2H]- 497.27857 223.3
[M]+ 476.30335 230.7
[M]- 476.30445 230.7
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.