CID 4249597

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

Structural Information

Molecular Formula
C23H16BrClN2O3
SMILES
CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)Br
InChI
InChI=1S/C23H16BrClN2O3/c1-2-30-23(29)18-11-21(22(28)14-6-8-17(25)9-7-14)27-13-26-19(12-20(18)27)15-4-3-5-16(24)10-15/h3-13H,2H2,1H3
InChIKey
FVVJQDDJAAAZPB-UHFFFAOYSA-N
Compound name
ethyl 3-(3-bromophenyl)-7-(4-chlorobenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.00327 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.01055 203.4
[M+Na]+ 504.99249 211.0
[M+NH4]+ 500.03709 207.1
[M+K]+ 520.96643 209.6
[M-H]- 480.99599 206.8
[M+Na-2H]- 502.97794 208.5
[M]+ 482.00272 204.7
[M]- 482.00382 204.7
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.