CID 5492926

10344-38-4

Structural Information

Molecular Formula
C18H23NO3
SMILES
CCCCCC1=CC(=C2C3=C(CCN(C3)C)C(=O)OC2=C1)O
InChI
InChI=1S/C18H23NO3/c1-3-4-5-6-12-9-15(20)17-14-11-19(2)8-7-13(14)18(21)22-16(17)10-12/h9-10,20H,3-8,11H2,1-2H3
InChIKey
WGHIMJPTXZIGEX-UHFFFAOYSA-N
Compound name
10-hydroxy-2-methyl-8-pentyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

301.1678 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.175076 171.6
[M+Na]+ 324.157018 180.2
[M-H]- 300.160524 174.9
[M+NH4]+ 319.201623 186.2
[M+K]+ 340.130958 176.2
[M+H-H2O]+ 284.165060 163.6
[M+HCOO]- 346.166001 186.7
[M+CH3COO]- 360.181651 205.9
[M+Na-2H]- 322.142466 175.9
[M]+ 301.16725142 174.1
[M]- 301.16834858 174.1
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