CID 3060386

78080-70-3

Structural Information

Molecular Formula
C24H31NO6
SMILES
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)OC)OC)OC)C(=O)CC(C2)(C)C)C
InChI
InChI=1S/C24H31NO6/c1-8-31-23(27)19-13(2)25-15-11-24(3,4)12-16(26)21(15)20(19)14-9-17(28-5)22(30-7)18(10-14)29-6/h9-10,20,25H,8,11-12H2,1-7H3
InChIKey
NGEIFOVGVAGVAM-UHFFFAOYSA-N
Compound name
ethyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

429.21515 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.22243 202.1
[M+Na]+ 452.20437 209.7
[M-H]- 428.20787 207.0
[M+NH4]+ 447.24897 213.6
[M+K]+ 468.17831 206.9
[M+H-H2O]+ 412.21241 193.5
[M+HCOO]- 474.21335 215.7
[M+CH3COO]- 488.22900 231.8
[M+Na-2H]- 450.18982 200.0
[M]+ 429.21460 207.9
[M]- 429.21570 207.9
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.