CID 157009849

(2e,10e)-11-(1,3-benzodioxol-5-yl)-n-butan-2-ylundeca-2,10-dienamide

Structural Information

Molecular Formula
C22H31NO3
SMILES
CCC(C)NC(=O)/C=C/CCCCCC/C=C/C1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C22H31NO3/c1-3-18(2)23-22(24)13-11-9-7-5-4-6-8-10-12-19-14-15-20-21(16-19)26-17-25-20/h10-16,18H,3-9,17H2,1-2H3,(H,23,24)/b12-10+,13-11+
InChIKey
ZPWYMHRULDAEAS-DCIPZJNNSA-N
Compound name
(2E,10E)-11-(1,3-benzodioxol-5-yl)-N-butan-2-ylundeca-2,10-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.2304 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.23768 196.0
[M+Na]+ 380.21962 198.6
[M-H]- 356.22312 199.7
[M+NH4]+ 375.26422 208.5
[M+K]+ 396.19356 195.6
[M+H-H2O]+ 340.22766 188.5
[M+HCOO]- 402.22860 213.6
[M+CH3COO]- 416.24425 217.8
[M+Na-2H]- 378.20507 195.6
[M]+ 357.22985 200.0
[M]- 357.23095 200.0
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.