CID 5493358

27296-62-4

Structural Information

Molecular Formula
C16H15NO3
SMILES
CC1=CC(=C2C3=C(CN(CC3)CC#C)C(=O)OC2=C1)O
InChI
InChI=1S/C16H15NO3/c1-3-5-17-6-4-11-12(9-17)16(19)20-14-8-10(2)7-13(18)15(11)14/h1,7-8,18H,4-6,9H2,2H3
InChIKey
ANXGKINJKIYWON-UHFFFAOYSA-N
Compound name
10-hydroxy-8-methyl-3-prop-2-ynyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1052 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11248 163.1
[M+Na]+ 292.09442 177.3
[M+NH4]+ 287.13902 167.6
[M+K]+ 308.06836 167.2
[M-H]- 268.09792 158.3
[M+Na-2H]- 290.07987 163.9
[M]+ 269.10465 163.0
[M]- 269.10575 163.0
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.