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]+ 391.12886 190.6
[M+Na]+ 413.11080 199.7
[M-H]- 389.11430 200.9
[M+NH4]+ 408.15540 202.1
[M+K]+ 429.08474 197.2
[M+H-H2O]+ 373.11884 181.6
[M+HCOO]- 435.11978 211.8
[M+CH3COO]- 449.13543 201.9
[M+Na-2H]- 411.09625 190.5
[M]+ 390.12103 199.0
[M]- 390.12213 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.