CID 455269

Tgg-ii-44b

Structural Information

Molecular Formula
C20H25NO3
SMILES
CC1=CC2=C(C=C1OC)C(C(=CC2=C)OC)(C)C3=NC(CO3)(C)C
InChI
InChI=1S/C20H25NO3/c1-12-9-17(23-7)20(5,18-21-19(3,4)11-24-18)15-10-16(22-6)13(2)8-14(12)15/h8-10H,1,11H2,2-7H3
InChIKey
SRTQAUSWPYIHLN-UHFFFAOYSA-N
Compound name
2-(2,7-dimethoxy-1,6-dimethyl-4-methylidenenaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.18344 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.19072 174.5
[M+Na]+ 350.17266 185.6
[M-H]- 326.17616 182.6
[M+NH4]+ 345.21726 193.9
[M+K]+ 366.14660 182.8
[M+H-H2O]+ 310.18070 168.0
[M+HCOO]- 372.18164 193.2
[M+CH3COO]- 386.19729 212.5
[M+Na-2H]- 348.15811 177.2
[M]+ 327.18289 180.3
[M]- 327.18399 180.3
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

No patent data available for this compound.