CID 617281

67867-47-4

Structural Information

Molecular Formula
C15H11NO3
SMILES
CC1=C(C=C2C(=O)C3=CC=CC=C3OC2=N1)C(=O)C
InChI
InChI=1S/C15H11NO3/c1-8-11(9(2)17)7-12-14(18)10-5-3-4-6-13(10)19-15(12)16-8/h3-7H,1-2H3
InChIKey
BSWKWHNLWRLQLZ-UHFFFAOYSA-N
Compound name
3-acetyl-2-methylchromeno[2,3-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4
Patents

253.0739 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 152.6
[M+Na]+ 276.06312 170.3
[M+NH4]+ 271.10772 161.2
[M+K]+ 292.03706 162.9
[M-H]- 252.06662 157.0
[M+Na-2H]- 274.04857 159.9
[M]+ 253.07335 156.6
[M]- 253.07445 156.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe