CID 4448071

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

Structural Information

Molecular Formula
C25H22N2O4
SMILES
CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4OC
InChI
InChI=1S/C25H22N2O4/c1-4-31-25(29)19-13-22(24(28)17-11-9-16(2)10-12-17)27-15-26-20(14-21(19)27)18-7-5-6-8-23(18)30-3/h5-15H,4H2,1-3H3
InChIKey
FQCHJPDSLWPMIG-UHFFFAOYSA-N
Compound name
ethyl 3-(2-methoxyphenyl)-7-(4-methylbenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.15796 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.16524 200.1
[M+Na]+ 437.14718 216.3
[M+NH4]+ 432.19178 206.3
[M+K]+ 453.12112 210.3
[M-H]- 413.15068 205.0
[M+Na-2H]- 435.13263 208.6
[M]+ 414.15741 203.9
[M]- 414.15851 203.9
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.