CID 854279

2-(2,3-dihydro-1h-perimidin-2-yl)-6-methoxyphenol

Structural Information

Molecular Formula
C18H16N2O2
SMILES
COC1=CC=CC(=C1O)C2NC3=CC=CC4=C3C(=CC=C4)N2
InChI
InChI=1S/C18H16N2O2/c1-22-15-10-4-7-12(17(15)21)18-19-13-8-2-5-11-6-3-9-14(20-18)16(11)13/h2-10,18-21H,1H3
InChIKey
DWZZNCGUVUHLRM-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1H-perimidin-2-yl)-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2
Patents

292.1212 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.128476 168.6
[M+Na]+ 315.110418 176.2
[M-H]- 291.113924 169.7
[M+NH4]+ 310.155023 181.4
[M+K]+ 331.084358 168.9
[M+H-H2O]+ 275.118460 159.5
[M+HCOO]- 337.119401 181.3
[M+CH3COO]- 351.135051 177.7
[M+Na-2H]- 313.095866 175.0
[M]+ 292.12065142 165.5
[M]- 292.12174858 165.5
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