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]+ 302.17508 171.6
[M+Na]+ 324.15702 180.2
[M-H]- 300.16052 174.9
[M+NH4]+ 319.20162 186.2
[M+K]+ 340.13096 176.2
[M+H-H2O]+ 284.16506 163.6
[M+HCOO]- 346.16600 186.7
[M+CH3COO]- 360.18165 205.9
[M+Na-2H]- 322.14247 175.9
[M]+ 301.16725 174.1
[M]- 301.16835 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