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]+ 342.17000 180.9
[M+Na]+ 364.15194 188.8
[M-H]- 340.15544 184.7
[M+NH4]+ 359.19654 195.1
[M+K]+ 380.12588 184.1
[M+H-H2O]+ 324.15998 173.3
[M+HCOO]- 386.16092 194.3
[M+CH3COO]- 400.17657 210.6
[M+Na-2H]- 362.13739 181.2
[M]+ 341.16217 179.8
[M]- 341.16327 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.