CID 15959154

Chembl67356

Structural Information

Molecular Formula
C19H20N2O2
SMILES
COC1=CC=C(C=C1)CC2(C3=CC=CC=C3C4=NCCCN42)O
InChI
InChI=1S/C19H20N2O2/c1-23-15-9-7-14(8-10-15)13-19(22)17-6-3-2-5-16(17)18-20-11-4-12-21(18)19/h2-3,5-10,22H,4,11-13H2,1H3
InChIKey
XPYONBNHCBGSPY-UHFFFAOYSA-N
Compound name
6-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

308.15247 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 173.7
[M+Na]+ 331.14169 181.9
[M-H]- 307.14519 178.1
[M+NH4]+ 326.18629 190.7
[M+K]+ 347.11563 176.0
[M+H-H2O]+ 291.14973 164.2
[M+HCOO]- 353.15067 190.0
[M+CH3COO]- 367.16632 184.1
[M+Na-2H]- 329.12714 178.4
[M]+ 308.15192 173.3
[M]- 308.15302 173.3
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.