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

2
Patents

383.24603 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.253306 204.2
[M+Na]+ 406.235248 206.3
[M-H]- 382.238754 207.6
[M+NH4]+ 401.279853 215.6
[M+K]+ 422.209188 202.2
[M+H-H2O]+ 366.243290 196.4
[M+HCOO]- 428.244231 221.3
[M+CH3COO]- 442.259881 222.4
[M+Na-2H]- 404.220696 202.8
[M]+ 383.24548142 208.1
[M]- 383.24657858 208.1
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

patents stripe