CID 983211

Ethyl 3-(furan-2-yl)-7-(4-methoxybenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate

Structural Information

Molecular Formula
C22H18N2O5
SMILES
CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=C(C=C3)OC)C4=CC=CO4
InChI
InChI=1S/C22H18N2O5/c1-3-28-22(26)16-11-19(21(25)14-6-8-15(27-2)9-7-14)24-13-23-17(12-18(16)24)20-5-4-10-29-20/h4-13H,3H2,1-2H3
InChIKey
YFCFBQSDXMNJHV-UHFFFAOYSA-N
Compound name
ethyl 3-(furan-2-yl)-7-(4-methoxybenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.12158 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12886 189.7
[M+Na]+ 413.11080 204.0
[M+NH4]+ 408.15540 195.4
[M+K]+ 429.08474 202.0
[M-H]- 389.11430 194.6
[M+Na-2H]- 411.09625 196.5
[M]+ 390.12103 193.1
[M]- 390.12213 193.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.