CID 3664159

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

Structural Information

Molecular Formula
C24H19BrN2O4
SMILES
CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=C(C=C3)Br)C4=CC(=CC=C4)OC
InChI
InChI=1S/C24H19BrN2O4/c1-3-31-24(29)19-12-22(23(28)15-7-9-17(25)10-8-15)27-14-26-20(13-21(19)27)16-5-4-6-18(11-16)30-2/h4-14H,3H2,1-2H3
InChIKey
QWZACDSDARXBGW-UHFFFAOYSA-N
Compound name
ethyl 7-(4-bromobenzoyl)-3-(3-methoxyphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.05283 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.06011 204.2
[M+Na]+ 501.04205 210.2
[M+NH4]+ 496.08665 206.9
[M+K]+ 517.01599 210.1
[M-H]- 477.04555 207.0
[M+Na-2H]- 499.02750 208.6
[M]+ 478.05228 204.8
[M]- 478.05338 204.8
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

No patent data available for this compound.