CID 5318093

155416-21-0

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 177.1
[M+Na]+ 348.15702 185.9
[M-H]- 324.16052 181.8
[M+NH4]+ 343.20162 192.9
[M+K]+ 364.13096 183.0
[M+H-H2O]+ 308.16506 168.9
[M+HCOO]- 370.16600 192.6
[M+CH3COO]- 384.18165 213.2
[M+Na-2H]- 346.14247 181.3
[M]+ 325.16725 181.4
[M]- 325.16835 181.4
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.