CID 476237

5-benzyloxy-4-ethyl-6,7-dihydro-3-methoxy-7-methylene-5-phenylpyrrolo[1,2-c]pyrimidin-1(5h)-one

Structural Information

Molecular Formula
C24H24N2O3
SMILES
CCC1=C2C(CC(=C)N2C(=O)N=C1OC)(C3=CC=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C24H24N2O3/c1-4-20-21-24(19-13-9-6-10-14-19,29-16-18-11-7-5-8-12-18)15-17(2)26(21)23(27)25-22(20)28-3/h5-14H,2,4,15-16H2,1,3H3
InChIKey
HQIYBRFNMXSTMH-UHFFFAOYSA-N
Compound name
4-ethyl-3-methoxy-7-methylidene-5-phenyl-5-phenylmethoxy-6H-pyrrolo[1,2-c]pyrimidin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.17868 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.18596 195.3
[M+Na]+ 411.16790 204.6
[M-H]- 387.17140 203.7
[M+NH4]+ 406.21250 208.6
[M+K]+ 427.14184 198.1
[M+H-H2O]+ 371.17594 184.3
[M+HCOO]- 433.17688 214.7
[M+CH3COO]- 447.19253 205.5
[M+Na-2H]- 409.15335 196.7
[M]+ 388.17813 199.0
[M]- 388.17923 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.