CID 129908882

(z)-n-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]octadec-9-enamide

Structural Information

Molecular Formula
C27H41NO4
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NC(=O)/C=C/C1=CC(=C(C=C1)O)O
InChI
InChI=1S/C27H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(31)28-27(32)21-19-23-18-20-24(29)25(30)22-23/h9-10,18-22,29-30H,2-8,11-17H2,1H3,(H,28,31,32)/b10-9-,21-19+
InChIKey
FSKUWNXGOGQEKS-YSBCPJPDSA-N
Compound name
(Z)-N-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.30356 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.31084 217.2
[M+Na]+ 466.29278 217.4
[M-H]- 442.29628 215.3
[M+NH4]+ 461.33738 224.7
[M+K]+ 482.26672 210.5
[M+H-H2O]+ 426.30082 208.3
[M+HCOO]- 488.30176 233.3
[M+CH3COO]- 502.31741 231.5
[M+Na-2H]- 464.27823 211.5
[M]+ 443.30301 221.1
[M]- 443.30411 221.1
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.