CID 378993

Nsc662585

Structural Information

Molecular Formula
C15H15NO2
SMILES
CCC1=CC2=C(C(=O)N1C)OC3=C2C=CC(=C3)C
InChI
InChI=1S/C15H15NO2/c1-4-10-8-12-11-6-5-9(2)7-13(11)18-14(12)15(17)16(10)3/h5-8H,4H2,1-3H3
InChIKey
UKYZEQCRLDTMPY-UHFFFAOYSA-N
Compound name
3-ethyl-2,7-dimethyl-[1]benzofuro[2,3-c]pyridin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.11028 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11756 152.0
[M+Na]+ 264.09950 165.6
[M-H]- 240.10300 158.6
[M+NH4]+ 259.14410 172.2
[M+K]+ 280.07344 162.0
[M+H-H2O]+ 224.10754 145.8
[M+HCOO]- 286.10848 174.8
[M+CH3COO]- 300.12413 166.9
[M+Na-2H]- 262.08495 158.5
[M]+ 241.10973 159.0
[M]- 241.11083 159.0
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.