CID 118044

Brn 0804449

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CCOC(C1=CC=CC=C1)C2=NCC(CN2)OC
InChI
InChI=1S/C14H20N2O2/c1-3-18-13(11-7-5-4-6-8-11)14-15-9-12(17-2)10-16-14/h4-8,12-13H,3,9-10H2,1-2H3,(H,15,16)
InChIKey
LVVRBQRKVCNRTI-UHFFFAOYSA-N
Compound name
2-[ethoxy(phenyl)methyl]-5-methoxy-1,4,5,6-tetrahydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15248 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 158.8
[M+Na]+ 271.14170 163.3
[M-H]- 247.14520 160.3
[M+NH4]+ 266.18630 172.0
[M+K]+ 287.11564 160.2
[M+H-H2O]+ 231.14974 149.6
[M+HCOO]- 293.15068 175.5
[M+CH3COO]- 307.16633 191.5
[M+Na-2H]- 269.12715 162.5
[M]+ 248.15193 156.7
[M]- 248.15303 156.7
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.