CID 3624066

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

Structural Information

Molecular Formula
C25H21ClN2O5
SMILES
CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)OC)OC
InChI
InChI=1S/C25H21ClN2O5/c1-4-33-25(30)19-12-22(24(29)15-5-7-16(26)8-6-15)28-14-27-20(13-21(19)28)18-10-9-17(31-2)11-23(18)32-3/h5-14H,4H2,1-3H3
InChIKey
QROFWYGXMYNHBR-UHFFFAOYSA-N
Compound name
ethyl 7-(4-chlorobenzoyl)-3-(2,4-dimethoxyphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.1139 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.12118 209.2
[M+Na]+ 487.10312 226.1
[M+NH4]+ 482.14772 215.1
[M+K]+ 503.07706 219.8
[M-H]- 463.10662 213.8
[M+Na-2H]- 485.08857 217.1
[M]+ 464.11335 213.3
[M]- 464.11445 213.3
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.