CID 15959160

Chembl209092

Structural Information

Molecular Formula
C22H20N2O
SMILES
C1CN=C2C3=CC=CC=C3C(N2C1)(CC4=CC5=CC=CC=C5C=C4)O
InChI
InChI=1S/C22H20N2O/c25-22(15-16-10-11-17-6-1-2-7-18(17)14-16)20-9-4-3-8-19(20)21-23-12-5-13-24(21)22/h1-4,6-11,14,25H,5,12-13,15H2
InChIKey
CGNWISKVGHJHDK-UHFFFAOYSA-N
Compound name
6-(naphthalen-2-ylmethyl)-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

328.15756 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.16484 179.6
[M+Na]+ 351.14678 187.9
[M-H]- 327.15028 184.6
[M+NH4]+ 346.19138 196.3
[M+K]+ 367.12072 179.8
[M+H-H2O]+ 311.15482 168.8
[M+HCOO]- 373.15576 194.1
[M+CH3COO]- 387.17141 189.1
[M+Na-2H]- 349.13223 184.9
[M]+ 328.15701 177.2
[M]- 328.15811 177.2
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.