CID 727037

2-(2-methoxyphenyl)-2,3-dihydro-1h-perimidine

Structural Information

Molecular Formula
C18H16N2O
SMILES
COC1=CC=CC=C1C2NC3=CC=CC4=C3C(=CC=C4)N2
InChI
InChI=1S/C18H16N2O/c1-21-16-11-3-2-8-13(16)18-19-14-9-4-6-12-7-5-10-15(20-18)17(12)14/h2-11,18-20H,1H3
InChIKey
RKWAQGJGOUNZHN-UHFFFAOYSA-N
Compound name
2-(2-methoxyphenyl)-2,3-dihydro-1H-perimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

276.12625 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13353 165.1
[M+Na]+ 299.11547 181.6
[M+NH4]+ 294.16007 174.6
[M+K]+ 315.08941 172.1
[M-H]- 275.11897 169.6
[M+Na-2H]- 297.10092 173.0
[M]+ 276.12570 168.9
[M]- 276.12680 168.9
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

patents stripe