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]+ 309.159746 173.7
[M+Na]+ 331.141688 181.9
[M-H]- 307.145194 178.1
[M+NH4]+ 326.186293 190.7
[M+K]+ 347.115628 176.0
[M+H-H2O]+ 291.149730 164.2
[M+HCOO]- 353.150671 190.0
[M+CH3COO]- 367.166321 184.1
[M+Na-2H]- 329.127136 178.4
[M]+ 308.15192142 173.3
[M]- 308.15301858 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

literature stripe

Patent stripe

No patent data available for this compound.