CID 4135280

Ethyl 7-(4-bromobenzoyl)-3-(4-fluorophenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate

Structural Information

Molecular Formula
C23H16BrFN2O3
SMILES
CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H16BrFN2O3/c1-2-30-23(29)18-11-21(22(28)15-3-7-16(24)8-4-15)27-13-26-19(12-20(18)27)14-5-9-17(25)10-6-14/h3-13H,2H2,1H3
InChIKey
GLYMOBFWNNPQDJ-UHFFFAOYSA-N
Compound name
ethyl 7-(4-bromobenzoyl)-3-(4-fluorophenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.03284 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.04012 203.5
[M+Na]+ 489.02206 209.2
[M+NH4]+ 484.06666 206.0
[M+K]+ 504.99600 208.6
[M-H]- 465.02556 205.3
[M+Na-2H]- 487.00751 207.5
[M]+ 466.03229 203.7
[M]- 466.03339 203.7
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.