CID 1278711

Dimethyl 3-(3-methoxybenzoyl)benzo[f]pyrrolo[1,2-a]quinoline-1,2-dicarboxylate

Structural Information

Molecular Formula
C28H21NO6
SMILES
COC1=CC=CC(=C1)C(=O)C2=C(C(=C3N2C4=C(C=C3)C5=CC=CC=C5C=C4)C(=O)OC)C(=O)OC
InChI
InChI=1S/C28H21NO6/c1-33-18-9-6-8-17(15-18)26(30)25-24(28(32)35-3)23(27(31)34-2)22-14-12-20-19-10-5-4-7-16(19)11-13-21(20)29(22)25/h4-15H,1-3H3
InChIKey
MZFILCYSCIQSKZ-UHFFFAOYSA-N
Compound name
dimethyl 3-(3-methoxybenzoyl)naphtho[2,1-e]indolizine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.1369 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.14418 212.7
[M+Na]+ 490.12612 222.0
[M-H]- 466.12962 221.9
[M+NH4]+ 485.17072 223.6
[M+K]+ 506.10006 218.0
[M+H-H2O]+ 450.13416 202.4
[M+HCOO]- 512.13510 231.2
[M+CH3COO]- 526.15075 222.2
[M+Na-2H]- 488.11157 213.7
[M]+ 467.13635 222.7
[M]- 467.13745 222.7
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.