CID 78384601

Zanthodioline

Structural Information

Molecular Formula
C16H19NO5
SMILES
CC1(C(C(C2=C(O1)C3=C(C(=CC=C3)OC)N(C2=O)C)O)O)C
InChI
InChI=1S/C16H19NO5/c1-16(2)14(19)12(18)10-13(22-16)8-6-5-7-9(21-4)11(8)17(3)15(10)20/h5-7,12,14,18-19H,1-4H3
InChIKey
GQGXEILPTLCMFO-UHFFFAOYSA-N
Compound name
3,4-dihydroxy-7-methoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

305.1263 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.13358 167.9
[M+Na]+ 328.11552 179.4
[M-H]- 304.11902 171.3
[M+NH4]+ 323.16012 184.1
[M+K]+ 344.08946 177.0
[M+H-H2O]+ 288.12356 161.3
[M+HCOO]- 350.12450 182.4
[M+CH3COO]- 364.14015 204.5
[M+Na-2H]- 326.10097 173.2
[M]+ 305.12575 172.2
[M]- 305.12685 172.2
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