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 198.4
[M+Na]+ 438.15234 209.6
[M+NH4]+ 433.19694 202.3
[M+K]+ 454.12628 207.0
[M-H]- 414.15584 198.9
[M+Na-2H]- 436.13779 199.0
[M]+ 415.16257 199.8
[M]- 415.16367 199.8
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.