CID 395640

Nsc700422

Structural Information

Molecular Formula
C20H20N2O2
SMILES
C=CCOC1=CC=C(C=C1)C2(C3=CC=CC=C3C4=NCCCN42)O
InChI
InChI=1S/C20H20N2O2/c1-2-14-24-16-10-8-15(9-11-16)20(23)18-7-4-3-6-17(18)19-21-12-5-13-22(19)20/h2-4,6-11,23H,1,5,12-14H2
InChIKey
ITUOKHXUFQVQDH-UHFFFAOYSA-N
Compound name
6-(4-prop-2-enoxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

320.15247 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15975 177.4
[M+Na]+ 343.14169 185.4
[M-H]- 319.14519 181.6
[M+NH4]+ 338.18629 193.7
[M+K]+ 359.11563 178.7
[M+H-H2O]+ 303.14973 167.7
[M+HCOO]- 365.15067 193.4
[M+CH3COO]- 379.16632 187.3
[M+Na-2H]- 341.12714 181.5
[M]+ 320.15192 176.5
[M]- 320.15302 176.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.