CID 983211

502959-75-3

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]+ 391.128856 190.6
[M+Na]+ 413.110798 199.7
[M-H]- 389.114304 200.9
[M+NH4]+ 408.155403 202.1
[M+K]+ 429.084738 197.2
[M+H-H2O]+ 373.118840 181.6
[M+HCOO]- 435.119781 211.8
[M+CH3COO]- 449.135431 201.9
[M+Na-2H]- 411.096246 190.5
[M]+ 390.12103142 199.0
[M]- 390.12212858 199.0
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.