CID 377478

Nci60_020752

Structural Information

Molecular Formula
C18H20O2
SMILES
CCC(=CC1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC
InChI
InChI=1S/C18H20O2/c1-4-15(16-7-11-18(20-3)12-8-16)13-14-5-9-17(19-2)10-6-14/h5-13H,4H2,1-3H3
InChIKey
GDNNLCVGDNIIBD-UHFFFAOYSA-N
Compound name
1-methoxy-4-[1-(4-methoxyphenyl)but-1-en-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.14633 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15361 163.6
[M+Na]+ 291.13555 170.4
[M-H]- 267.13905 170.1
[M+NH4]+ 286.18015 180.1
[M+K]+ 307.10949 166.6
[M+H-H2O]+ 251.14359 155.8
[M+HCOO]- 313.14453 186.3
[M+CH3COO]- 327.16018 199.7
[M+Na-2H]- 289.12100 166.9
[M]+ 268.14578 166.3
[M]- 268.14688 166.3
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.