CID 4183130

Ethyl 7-(4-bromobenzoyl)-3-(4-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=C(C=C4)OC
InChI
InChI=1S/C24H19BrN2O4/c1-3-31-24(29)19-12-22(23(28)16-4-8-17(25)9-5-16)27-14-26-20(13-21(19)27)15-6-10-18(30-2)11-7-15/h4-14H,3H2,1-2H3
InChIKey
VKXIOKRLTCLUAY-UHFFFAOYSA-N
Compound name
ethyl 7-(4-bromobenzoyl)-3-(4-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.

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No literature data available for this compound.

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No patent data available for this compound.