CID 5154265

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

Structural Information

Molecular Formula
C21H15ClN2O3S
SMILES
CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=CS3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H15ClN2O3S/c1-2-27-21(26)15-10-18(20(25)19-4-3-9-28-19)24-12-23-16(11-17(15)24)13-5-7-14(22)8-6-13/h3-12H,2H2,1H3
InChIKey
QIKIILFXQKLVAM-UHFFFAOYSA-N
Compound name
ethyl 3-(4-chlorophenyl)-7-(thiophene-2-carbonyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.0492 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.05648 193.5
[M+Na]+ 433.03842 209.0
[M+NH4]+ 428.08302 201.3
[M+K]+ 449.01236 202.4
[M-H]- 409.04192 198.3
[M+Na-2H]- 431.02387 201.4
[M]+ 410.04865 197.9
[M]- 410.04975 197.9
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.