CID 118054

Brn 0792373

Structural Information

Molecular Formula
C14H20N2O
SMILES
CCCOC(C1=CC=CC=C1)C2=NCCCN2
InChI
InChI=1S/C14H20N2O/c1-2-11-17-13(12-7-4-3-5-8-12)14-15-9-6-10-16-14/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,15,16)
InChIKey
RJSAKOPQHUEJMG-UHFFFAOYSA-N
Compound name
2-[phenyl(propoxy)methyl]-1,4,5,6-tetrahydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.15756 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16484 156.3
[M+Na]+ 255.14678 168.6
[M+NH4]+ 250.19138 164.1
[M+K]+ 271.12072 161.3
[M-H]- 231.15028 159.1
[M+Na-2H]- 253.13223 163.9
[M]+ 232.15701 158.7
[M]- 232.15811 158.7
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.