CID 118052

Brn 0790443

Structural Information

Molecular Formula
C14H20N2O
SMILES
CCOC(C1=CC=C(C=C1)C)C2=NCCCN2
InChI
InChI=1S/C14H20N2O/c1-3-17-13(14-15-9-4-10-16-14)12-7-5-11(2)6-8-12/h5-8,13H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKey
YMBJPKOYMAYDAM-UHFFFAOYSA-N
Compound name
2-[ethoxy-(4-methylphenyl)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

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16484 155.7
[M+Na]+ 255.14678 160.5
[M-H]- 231.15028 157.3
[M+NH4]+ 250.19138 169.8
[M+K]+ 271.12072 156.7
[M+H-H2O]+ 215.15482 146.8
[M+HCOO]- 277.15576 172.3
[M+CH3COO]- 291.17141 189.4
[M+Na-2H]- 253.13223 159.5
[M]+ 232.15701 152.2
[M]- 232.15811 152.2
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.