CID 489611

5-ethyl-6,8-dimethoxy-3',5'-dimethyl-spiro[4h-pyrano[3,4-c]pyridine-3,1'-cyclohexane]-1-one

Structural Information

Molecular Formula
C19H27NO4
SMILES
CCC1=C2CC3(CC(CC(C3)C)C)OC(=O)C2=C(N=C1OC)OC
InChI
InChI=1S/C19H27NO4/c1-6-13-14-10-19(8-11(2)7-12(3)9-19)24-18(21)15(14)17(23-5)20-16(13)22-4/h11-12H,6-10H2,1-5H3
InChIKey
BXTTZRCPUILSJC-UHFFFAOYSA-N
Compound name
5-ethyl-6,8-dimethoxy-3',5'-dimethylspiro[4H-pyrano[3,4-c]pyridine-3,1'-cyclohexane]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.194 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.20128 179.3
[M+Na]+ 356.18322 187.2
[M-H]- 332.18672 184.9
[M+NH4]+ 351.22782 194.6
[M+K]+ 372.15716 185.4
[M+H-H2O]+ 316.19126 171.1
[M+HCOO]- 378.19220 193.0
[M+CH3COO]- 392.20785 213.9
[M+Na-2H]- 354.16867 181.3
[M]+ 333.19345 181.3
[M]- 333.19455 181.3
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.