CID 131750975

(e,e,e)-sylvatine

Structural Information

Molecular Formula
C24H33NO3
SMILES
CC(C)CCC/C=C/CCCCNC(=O)/C=C/C=C\C1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C24H33NO3/c1-20(2)12-8-6-4-3-5-7-11-17-25-24(26)14-10-9-13-21-15-16-22-23(18-21)28-19-27-22/h3-4,9-10,13-16,18,20H,5-8,11-12,17,19H2,1-2H3,(H,25,26)/b4-3+,13-9-,14-10+
InChIKey
URFYPQQKBYOWIX-SWZGVYIDSA-N
Compound name
(2E,4Z)-5-(1,3-benzodioxol-5-yl)-N-[(E)-10-methylundec-5-enyl]penta-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

383.24603 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.25331 201.4
[M+Na]+ 406.23525 209.1
[M+NH4]+ 401.27985 206.1
[M+K]+ 422.20919 203.4
[M-H]- 382.23875 204.1
[M+Na-2H]- 404.22070 200.7
[M]+ 383.24548 202.8
[M]- 383.24658 202.8
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

patents stripe