CID 4558194

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

Structural Information

Molecular Formula
C23H16ClFN2O3
SMILES
CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=C(C=C3)F)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C23H16ClFN2O3/c1-2-30-23(29)18-11-21(22(28)14-6-8-17(25)9-7-14)27-13-26-19(12-20(18)27)15-4-3-5-16(24)10-15/h3-13H,2H2,1H3
InChIKey
DQXQQGVOYUJIDS-UHFFFAOYSA-N
Compound name
ethyl 3-(3-chlorophenyl)-7-(4-fluorobenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.08334 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.09062 198.3
[M+Na]+ 445.07256 215.0
[M+NH4]+ 440.11716 204.8
[M+K]+ 461.04650 208.0
[M-H]- 421.07606 202.2
[M+Na-2H]- 443.05801 206.8
[M]+ 422.08279 202.1
[M]- 422.08389 202.1
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.

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No patent data available for this compound.