CID 11288698

Tephrowatsin e

Structural Information

Molecular Formula
C17H18O3
SMILES
COC1=CC2=C(CC[C@H](O2)C3=CC=CC=C3)C(=C1)OC
InChI
InChI=1S/C17H18O3/c1-18-13-10-16(19-2)14-8-9-15(20-17(14)11-13)12-6-4-3-5-7-12/h3-7,10-11,15H,8-9H2,1-2H3/t15-/m0/s1
InChIKey
ZNGGVZOKUFXTRL-HNNXBMFYSA-N
Compound name
(2S)-5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

270.12558 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.132856 160.9
[M+Na]+ 293.114798 168.3
[M-H]- 269.118304 169.0
[M+NH4]+ 288.159403 177.0
[M+K]+ 309.088738 166.3
[M+H-H2O]+ 253.122840 152.8
[M+HCOO]- 315.123781 180.9
[M+CH3COO]- 329.139431 199.0
[M+Na-2H]- 291.100246 167.1
[M]+ 270.12503142 162.9
[M]- 270.12612858 162.9
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

patents stripe