CID 596401

Sativan

Structural Information

Molecular Formula
C17H18O4
SMILES
COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)OC
InChI
InChI=1S/C17H18O4/c1-19-14-5-6-15(17(9-14)20-2)12-7-11-3-4-13(18)8-16(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3
InChIKey
TUXCLJQCYVCGDW-UHFFFAOYSA-N
Compound name
3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

95
Patents

286.1205 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12778 164.3
[M+Na]+ 309.10972 172.0
[M-H]- 285.11322 171.4
[M+NH4]+ 304.15432 179.2
[M+K]+ 325.08366 169.9
[M+H-H2O]+ 269.11776 156.5
[M+HCOO]- 331.11870 182.9
[M+CH3COO]- 345.13435 200.0
[M+Na-2H]- 307.09517 169.5
[M]+ 286.11995 166.4
[M]- 286.12105 166.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe