CID 3689189

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

Structural Information

Molecular Formula
C24H19ClN2O3
SMILES
CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H19ClN2O3/c1-3-30-24(29)19-12-22(23(28)17-6-4-15(2)5-7-17)27-14-26-20(13-21(19)27)16-8-10-18(25)11-9-16/h4-14H,3H2,1-2H3
InChIKey
GSFQRZFDPKQZKN-UHFFFAOYSA-N
Compound name
ethyl 3-(4-chlorophenyl)-7-(4-methylbenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.10843 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.11571 199.0
[M+Na]+ 441.09765 216.9
[M+NH4]+ 436.14225 206.3
[M+K]+ 457.07159 209.5
[M-H]- 417.10115 204.6
[M+Na-2H]- 439.08310 208.3
[M]+ 418.10788 203.6
[M]- 418.10898 203.6
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.