CID 3122940

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

Structural Information

Molecular Formula
C19H18N2O2
SMILES
CCOC1=CC=CC(=C1O)C2NC3=CC=CC4=C3C(=CC=C4)N2
InChI
InChI=1S/C19H18N2O2/c1-2-23-16-11-5-8-13(18(16)22)19-20-14-9-3-6-12-7-4-10-15(21-19)17(12)14/h3-11,19-22H,2H2,1H3
InChIKey
VEOLHYZAPAIWJH-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1H-perimidin-2-yl)-6-ethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.13684 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.144116 173.1
[M+Na]+ 329.126058 180.2
[M-H]- 305.129564 173.9
[M+NH4]+ 324.170663 185.3
[M+K]+ 345.099998 172.6
[M+H-H2O]+ 289.134100 163.7
[M+HCOO]- 351.135041 185.4
[M+CH3COO]- 365.150691 181.7
[M+Na-2H]- 327.111506 178.9
[M]+ 306.13629142 170.2
[M]- 306.13738858 170.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.