CID 5745895

64050-26-6

Structural Information

Molecular Formula
C20H27NO3
SMILES
CCCCCC(C)C1=CC(=C2C3=C(CCN(C3)C)C(=O)OC2=C1)O
InChI
InChI=1S/C20H27NO3/c1-4-5-6-7-13(2)14-10-17(22)19-16-12-21(3)9-8-15(16)20(23)24-18(19)11-14/h10-11,13,22H,4-9,12H2,1-3H3
InChIKey
SACAHFCNCXKWMN-UHFFFAOYSA-N
Compound name
8-heptan-2-yl-10-hydroxy-2-methyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1991 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.20638 181.0
[M+Na]+ 352.18832 188.3
[M-H]- 328.19182 183.9
[M+NH4]+ 347.23292 194.3
[M+K]+ 368.16226 184.4
[M+H-H2O]+ 312.19636 172.8
[M+HCOO]- 374.19730 194.3
[M+CH3COO]- 388.21295 212.8
[M+Na-2H]- 350.17377 183.0
[M]+ 329.19855 183.5
[M]- 329.19965 183.5
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.