CID 170941533

Schembl30816031

Structural Information

Molecular Formula
C23H15BrFNO5
SMILES
COC(=O)C1=C2C(=CC3=CC=CC=C3N2C(=C1C(=O)OC)C(=O)C4=CC=C(C=C4)F)Br
InChI
InChI=1S/C23H15BrFNO5/c1-30-22(28)17-18(23(29)31-2)20(21(27)12-7-9-14(25)10-8-12)26-16-6-4-3-5-13(16)11-15(24)19(17)26/h3-11H,1-2H3
InChIKey
ABESOXWLBYVYKY-UHFFFAOYSA-N
Compound name
dimethyl 4-bromo-1-(4-fluorobenzoyl)pyrrolo[1,2-a]quinoline-2,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

483.01175 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.01903 206.6
[M+Na]+ 506.00097 218.7
[M-H]- 482.00447 215.9
[M+NH4]+ 501.04557 220.4
[M+K]+ 521.97491 207.8
[M+H-H2O]+ 466.00901 203.7
[M+HCOO]- 528.00995 222.7
[M+CH3COO]- 542.02560 232.5
[M+Na-2H]- 503.98642 206.6
[M]+ 483.01120 230.8
[M]- 483.01230 230.8
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

patents stripe