CID 5166389

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

Structural Information

Molecular Formula
C23H17ClN2O3
SMILES
CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=CC=C3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C23H17ClN2O3/c1-2-29-23(28)18-12-21(22(27)15-7-4-3-5-8-15)26-14-25-19(13-20(18)26)16-9-6-10-17(24)11-16/h3-14H,2H2,1H3
InChIKey
HORTVLAKZTXPBL-UHFFFAOYSA-N
Compound name
ethyl 7-benzoyl-3-(3-chlorophenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.09277 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.10005 194.3
[M+Na]+ 427.08199 212.0
[M+NH4]+ 422.12659 201.8
[M+K]+ 443.05593 204.7
[M-H]- 403.08549 199.8
[M+Na-2H]- 425.06744 204.1
[M]+ 404.09222 198.9
[M]- 404.09332 198.9
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.