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 160.2
[M+Na]+ 292.09442 172.7
[M-H]- 268.09792 161.8
[M+NH4]+ 287.13902 174.1
[M+K]+ 308.06836 165.4
[M+H-H2O]+ 252.10246 147.2
[M+HCOO]- 314.10340 171.0
[M+CH3COO]- 328.11905 170.2
[M+Na-2H]- 290.07987 164.5
[M]+ 269.10465 155.7
[M]- 269.10575 155.7
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.