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]+ 416.17040 195.2
[M+Na]+ 438.15234 204.2
[M-H]- 414.15584 201.2
[M+NH4]+ 433.19694 207.2
[M+K]+ 454.12628 201.4
[M+H-H2O]+ 398.16038 187.9
[M+HCOO]- 460.16132 212.1
[M+CH3COO]- 474.17697 228.7
[M+Na-2H]- 436.13779 190.9
[M]+ 415.16257 203.2
[M]- 415.16367 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.