CID 395574

Nsc700280

Structural Information

Molecular Formula
C15H15NO2
SMILES
CC1=CC(=O)NC2=C1C=CC3=C2C=CC(O3)(C)C
InChI
InChI=1S/C15H15NO2/c1-9-8-13(17)16-14-10(9)4-5-12-11(14)6-7-15(2,3)18-12/h4-8H,1-3H3,(H,16,17)
InChIKey
FCVQLBDLMFSDAX-UHFFFAOYSA-N
Compound name
4,8,8-trimethyl-1H-pyrano[2,3-h]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

241.11028 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11756 152.8
[M+Na]+ 264.09950 164.1
[M-H]- 240.10300 157.1
[M+NH4]+ 259.14410 171.9
[M+K]+ 280.07344 160.2
[M+H-H2O]+ 224.10754 145.7
[M+HCOO]- 286.10848 170.3
[M+CH3COO]- 300.12413 165.7
[M+Na-2H]- 262.08495 161.5
[M]+ 241.10973 154.2
[M]- 241.11083 154.2
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

No patent data available for this compound.