CID 668468

1-(2,3-dihydro-1h-perimidin-2-yl)-naphthalen-2-ol

Structural Information

Molecular Formula
C21H16N2O
SMILES
C1=CC=C2C(=C1)C=CC(=C2C3NC4=CC=CC5=C4C(=CC=C5)N3)O
InChI
InChI=1S/C21H16N2O/c24-18-12-11-13-5-1-2-8-15(13)20(18)21-22-16-9-3-6-14-7-4-10-17(23-21)19(14)16/h1-12,21-24H
InChIKey
CZHAUERRAMVUGM-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-perimidin-2-yl)naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

312.12625 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13353 172.3
[M+Na]+ 335.11547 180.9
[M-H]- 311.11897 174.4
[M+NH4]+ 330.16007 185.1
[M+K]+ 351.08941 171.4
[M+H-H2O]+ 295.12351 162.3
[M+HCOO]- 357.12445 184.8
[M+CH3COO]- 371.14010 181.2
[M+Na-2H]- 333.10092 181.0
[M]+ 312.12570 168.8
[M]- 312.12680 168.8
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.