CID 51136383

Compound np-016263

Structural Information

Molecular Formula
C22H28O5
SMILES
CC(CC1=CC(=C(C(=C1)OC)OC)OC)OC2=C(C=C(C=C2)CC=C)OC
InChI
InChI=1S/C22H28O5/c1-7-8-16-9-10-18(19(12-16)23-3)27-15(2)11-17-13-20(24-4)22(26-6)21(14-17)25-5/h7,9-10,12-15H,1,8,11H2,2-6H3
InChIKey
KKYNVNUZEODDKF-UHFFFAOYSA-N
Compound name
1,2,3-trimethoxy-5-[2-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.19366 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.200936 189.6
[M+Na]+ 395.182878 196.7
[M-H]- 371.186384 196.3
[M+NH4]+ 390.227483 202.2
[M+K]+ 411.156818 194.3
[M+H-H2O]+ 355.190920 180.7
[M+HCOO]- 417.191861 211.3
[M+CH3COO]- 431.207511 222.1
[M+Na-2H]- 393.168326 188.8
[M]+ 372.19311142 199.3
[M]- 372.19420858 199.3
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.