CID 3039581

Brn 1499723

Structural Information

Molecular Formula
C18H23NO4
SMILES
CN1C2=C(CCC1=O)C3=C(C(=C(C=C3CCC2)OC)OC)OC
InChI
InChI=1S/C18H23NO4/c1-19-13-7-5-6-11-10-14(21-2)17(22-3)18(23-4)16(11)12(13)8-9-15(19)20/h10H,5-9H2,1-4H3
InChIKey
VYSGZSPMTYFSJD-UHFFFAOYSA-N
Compound name
13,14,15-trimethoxy-6-methyl-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),11,13-tetraen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.16272 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.169996 170.7
[M+Na]+ 340.151938 178.0
[M-H]- 316.155444 176.1
[M+NH4]+ 335.196543 185.9
[M+K]+ 356.125878 179.5
[M+H-H2O]+ 300.159980 164.3
[M+HCOO]- 362.160921 186.8
[M+CH3COO]- 376.176571 211.8
[M+Na-2H]- 338.137386 173.3
[M]+ 317.16217142 171.7
[M]- 317.16326858 171.7
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.