CID 45051472

Dimethyl 1-(3,4-dimethoxybenzoyl)-7-methoxypyrrolo[1,2-a]quinoline-2,3-dicarboxylate

Structural Information

Molecular Formula
C26H23NO8
SMILES
COC1=CC2=C(C=C1)N3C(=C(C(=C3C(=O)C4=CC(=C(C=C4)OC)OC)C(=O)OC)C(=O)OC)C=C2
InChI
InChI=1S/C26H23NO8/c1-31-16-8-10-17-14(12-16)6-9-18-21(25(29)34-4)22(26(30)35-5)23(27(17)18)24(28)15-7-11-19(32-2)20(13-15)33-3/h6-13H,1-5H3
InChIKey
SEFRYFHKFACHMQ-UHFFFAOYSA-N
Compound name
dimethyl 1-(3,4-dimethoxybenzoyl)-7-methoxypyrrolo[1,2-a]quinoline-2,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.14236 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.14964 211.1
[M+Na]+ 500.13158 219.7
[M-H]- 476.13508 219.5
[M+NH4]+ 495.17618 221.1
[M+K]+ 516.10552 218.4
[M+H-H2O]+ 460.13962 201.7
[M+HCOO]- 522.14056 229.9
[M+CH3COO]- 536.15621 239.9
[M+Na-2H]- 498.11703 209.8
[M]+ 477.14181 224.0
[M]- 477.14291 224.0
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.