CID 476235

4-ethyl-5-hydroxy-3-methoxy-7-methylene-5-phenyl-6h-pyrrolo[1,2-c]pyrimidin-1-one

Structural Information

Molecular Formula
C17H18N2O3
SMILES
CCC1=C2C(CC(=C)N2C(=O)N=C1OC)(C3=CC=CC=C3)O
InChI
InChI=1S/C17H18N2O3/c1-4-13-14-17(21,12-8-6-5-7-9-12)10-11(2)19(14)16(20)18-15(13)22-3/h5-9,21H,2,4,10H2,1,3H3
InChIKey
MJOUJFYCOODPJA-UHFFFAOYSA-N
Compound name
4-ethyl-5-hydroxy-3-methoxy-7-methylidene-5-phenyl-6H-pyrrolo[1,2-c]pyrimidin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.13174 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13902 168.1
[M+Na]+ 321.12096 179.1
[M-H]- 297.12446 172.9
[M+NH4]+ 316.16556 185.3
[M+K]+ 337.09490 173.8
[M+H-H2O]+ 281.12900 160.3
[M+HCOO]- 343.12994 187.4
[M+CH3COO]- 357.14559 201.8
[M+Na-2H]- 319.10641 171.1
[M]+ 298.13119 170.7
[M]- 298.13229 170.7
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.