CID 6912756

Nsc689167

Structural Information

Molecular Formula
C17H18O4
SMILES
COC1=CC(=CC(=C1OC)OC)/C(=C/C=C2C=CC=C2)/O
InChI
InChI=1S/C17H18O4/c1-19-15-10-13(11-16(20-2)17(15)21-3)14(18)9-8-12-6-4-5-7-12/h4-11,18H,1-3H3/b14-9-
InChIKey
CZJUGYCMSNQEKB-ZROIWOOFSA-N
Compound name
(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(3,4,5-trimethoxyphenyl)prop-1-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1205 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12778 166.1
[M+Na]+ 309.10972 173.8
[M-H]- 285.11322 171.9
[M+NH4]+ 304.15432 183.2
[M+K]+ 325.08366 170.1
[M+H-H2O]+ 269.11776 159.4
[M+HCOO]- 331.11870 189.0
[M+CH3COO]- 345.13435 197.9
[M+Na-2H]- 307.09517 166.5
[M]+ 286.11995 169.9
[M]- 286.12105 169.9
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.