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]+ 307.14412 173.1
[M+Na]+ 329.12606 180.2
[M-H]- 305.12956 173.9
[M+NH4]+ 324.17066 185.3
[M+K]+ 345.10000 172.6
[M+H-H2O]+ 289.13410 163.7
[M+HCOO]- 351.13504 185.4
[M+CH3COO]- 365.15069 181.7
[M+Na-2H]- 327.11151 178.9
[M]+ 306.13629 170.2
[M]- 306.13739 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.