CID 2829290

292852-48-3

Structural Information

Molecular Formula
C20H23NO4
SMILES
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)O)C(=O)OC
InChI
InChI=1S/C20H23NO4/c1-11-16(19(24)25-4)17(12-5-7-13(22)8-6-12)18-14(21-11)9-20(2,3)10-15(18)23/h5-8,17,21-22H,9-10H2,1-4H3
InChIKey
VTNYBNGREGVNLD-UHFFFAOYSA-N
Compound name
methyl 4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.16272 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.169996 180.9
[M+Na]+ 364.151938 188.8
[M-H]- 340.155444 184.7
[M+NH4]+ 359.196543 195.1
[M+K]+ 380.125878 184.1
[M+H-H2O]+ 324.159980 173.3
[M+HCOO]- 386.160921 194.3
[M+CH3COO]- 400.176571 210.6
[M+Na-2H]- 362.137386 181.2
[M]+ 341.16217142 179.8
[M]- 341.16326858 179.8
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.