CID 3060359

Brn 5158412

Structural Information

Molecular Formula
C22H25NO7
SMILES
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)OC)OC)OC)C(=O)C(C2=O)C)C
InChI
InChI=1S/C22H25NO7/c1-7-30-22(26)15-11(3)23-18-17(19(24)10(2)20(18)25)16(15)12-8-13(27-4)21(29-6)14(9-12)28-5/h8-10,16,23H,7H2,1-6H3
InChIKey
GLXBPNRHEKMPAK-UHFFFAOYSA-N
Compound name
ethyl 2,6-dimethyl-5,7-dioxo-4-(3,4,5-trimethoxyphenyl)-1,4-dihydrocyclopenta[b]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.16312 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.170396 195.2
[M+Na]+ 438.152338 204.2
[M-H]- 414.155844 201.2
[M+NH4]+ 433.196943 207.2
[M+K]+ 454.126278 201.4
[M+H-H2O]+ 398.160380 187.9
[M+HCOO]- 460.161321 212.1
[M+CH3COO]- 474.176971 228.7
[M+Na-2H]- 436.137786 190.9
[M]+ 415.16257142 203.2
[M]- 415.16366858 203.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.