CID 4520994

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

Structural Information

Molecular Formula

C₂₃H₁₇FN₂O₃

SMILES

CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H17FN2O3/c1-2-29-23(28)18-12-21(22(27)16-6-4-3-5-7-16)26-14-25-19(13-20(18)26)15-8-10-17(24)11-9-15/h3-14H,2H2,1H3

InChIKey

ZSGPYPUEGBYMGO-UHFFFAOYSA-N

Compound name

ethyl 7-benzoyl-3-(4-fluorophenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 388.1223 Da
Monoisotopic Mass: 5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	389.129576	192.2
[M+Na]+	411.111518	201.4
[M-H]-	387.115024	199.7
[M+NH4]+	406.156123	203.1
[M+K]+	427.085458	195.1
[M+H-H2O]+	371.119560	180.6
[M+HCOO]-	433.120501	211.6
[M+CH3COO]-	447.136151	202.2
[M+Na-2H]-	409.096966	193.0
[M]+	388.12175142	195.5
[M]-	388.12284858	195.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.