CID 478727

Chembl266957

Structural Information

Molecular Formula
C20H23NO4
SMILES
CC1=CC(=O)N(C2=C1C=CC3=C2C=CC(O3)(C)C)C(=O)OC(C)(C)C
InChI
InChI=1S/C20H23NO4/c1-12-11-16(22)21(18(23)25-19(2,3)4)17-13(12)7-8-15-14(17)9-10-20(5,6)24-15/h7-11H,1-6H3
InChIKey
UEBXUFSLLVGRQN-UHFFFAOYSA-N
Compound name
tert-butyl 4,8,8-trimethyl-2-oxopyrano[2,3-h]quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

341.16272 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17000 180.4
[M+Na]+ 364.15194 191.0
[M-H]- 340.15544 186.0
[M+NH4]+ 359.19654 196.3
[M+K]+ 380.12588 189.0
[M+H-H2O]+ 324.15998 173.1
[M+HCOO]- 386.16092 195.6
[M+CH3COO]- 400.17657 214.3
[M+Na-2H]- 362.13739 186.5
[M]+ 341.16217 186.7
[M]- 341.16327 186.7
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.