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]+ 334.201276 179.3
[M+Na]+ 356.183218 187.2
[M-H]- 332.186724 184.9
[M+NH4]+ 351.227823 194.6
[M+K]+ 372.157158 185.4
[M+H-H2O]+ 316.191260 171.1
[M+HCOO]- 378.192201 193.0
[M+CH3COO]- 392.207851 213.9
[M+Na-2H]- 354.168666 181.3
[M]+ 333.19345142 181.3
[M]- 333.19454858 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.