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]+ 271.13286 160.9
[M+Na]+ 293.11480 168.3
[M-H]- 269.11830 169.0
[M+NH4]+ 288.15940 177.0
[M+K]+ 309.08874 166.3
[M+H-H2O]+ 253.12284 152.8
[M+HCOO]- 315.12378 180.9
[M+CH3COO]- 329.13943 199.0
[M+Na-2H]- 291.10025 167.1
[M]+ 270.12503 162.9
[M]- 270.12613 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