CID 170941522

Schembl27156308

Structural Information

Molecular Formula
C22H15BrFNO3
SMILES
CCOC(=O)C1=C2C(=CC3=CC=CC=C3N2C(=C1)C(=O)C4=CC=C(C=C4)F)Br
InChI
InChI=1S/C22H15BrFNO3/c1-2-28-22(27)16-12-19(21(26)13-7-9-15(24)10-8-13)25-18-6-4-3-5-14(18)11-17(23)20(16)25/h3-12H,2H2,1H3
InChIKey
LUPFRHVKKXSWCI-UHFFFAOYSA-N
Compound name
ethyl 4-bromo-1-(4-fluorobenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

439.02194 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.02922 199.3
[M+Na]+ 462.01116 211.8
[M-H]- 438.01466 208.4
[M+NH4]+ 457.05576 215.0
[M+K]+ 477.98510 199.4
[M+H-H2O]+ 422.01920 196.5
[M+HCOO]- 484.02014 216.4
[M+CH3COO]- 498.03579 211.2
[M+Na-2H]- 459.99661 201.0
[M]+ 439.02139 221.6
[M]- 439.02249 221.6
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