CID 6446000

P-1729

Structural Information

Molecular Formula
C24H35NO3
SMILES
CC1(COC(=N1)/C(=C/C2=CC(=CC(=C2)OC)OC)/CCCCCCCC=C)C
InChI
InChI=1S/C24H35NO3/c1-6-7-8-9-10-11-12-13-20(23-25-24(2,3)18-28-23)14-19-15-21(26-4)17-22(16-19)27-5/h6,14-17H,1,7-13,18H2,2-5H3/b20-14+
InChIKey
OQSQRUGPCHVVKR-XSFVSMFZSA-N
Compound name
2-[(1E)-1-(3,5-dimethoxyphenyl)undeca-1,10-dien-2-yl]-4,4-dimethyl-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

385.2617 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.26898 198.3
[M+Na]+ 408.25092 203.5
[M-H]- 384.25442 203.2
[M+NH4]+ 403.29552 211.4
[M+K]+ 424.22486 199.7
[M+H-H2O]+ 368.25896 190.1
[M+HCOO]- 430.25990 216.5
[M+CH3COO]- 444.27555 222.3
[M+Na-2H]- 406.23637 196.5
[M]+ 385.26115 205.1
[M]- 385.26225 205.1
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