CID 760604

4-(2,3-dihydro-1h-perimidin-2-yl)-2-ethoxyphenol

Structural Information

Molecular Formula
C19H18N2O2
SMILES
CCOC1=C(C=CC(=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2)O
InChI
InChI=1S/C19H18N2O2/c1-2-23-17-11-13(9-10-16(17)22)19-20-14-7-3-5-12-6-4-8-15(21-19)18(12)14/h3-11,19-22H,2H2,1H3
InChIKey
VPSWFBIJAAALET-UHFFFAOYSA-N
Compound name
4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
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

literature stripe

Patent stripe

patents stripe