CID 5318093

Huajiaosimuline

Structural Information

Molecular Formula
C20H23NO3
SMILES
CC(C)C(=O)CCC1(C=CC2=C(O1)C3=CC=CC=C3N(C2=O)C)C
InChI
InChI=1S/C20H23NO3/c1-13(2)17(22)10-12-20(3)11-9-15-18(24-20)14-7-5-6-8-16(14)21(4)19(15)23/h5-9,11,13H,10,12H2,1-4H3
InChIKey
NYATVLNHGXEKDI-UHFFFAOYSA-N
Compound name
2,6-dimethyl-2-(4-methyl-3-oxopentyl)pyrano[3,2-c]quinolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1678 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 177.0
[M+Na]+ 348.15702 191.5
[M+NH4]+ 343.20162 186.0
[M+K]+ 364.13096 182.6
[M-H]- 324.16052 180.6
[M+Na-2H]- 346.14247 182.4
[M]+ 325.16725 180.4
[M]- 325.16835 180.4
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.