CID 4183130

302912-89-6

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 206.3
[M+Na]+ 501.04205 217.4
[M-H]- 477.04555 217.4
[M+NH4]+ 496.08665 217.8
[M+K]+ 517.01599 205.9
[M+H-H2O]+ 461.05009 202.8
[M+HCOO]- 523.05103 224.2
[M+CH3COO]- 537.06668 217.6
[M+Na-2H]- 499.02750 207.5
[M]+ 478.05228 230.6
[M]- 478.05338 230.6
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

No patent data available for this compound.