CID 118046

Brn 0787682

Structural Information

Molecular Formula
C13H18N2O
SMILES
CCOC(C1=CC=CC=C1)C2=NCCCN2
InChI
InChI=1S/C13H18N2O/c1-2-16-12(11-7-4-3-5-8-11)13-14-9-6-10-15-13/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,14,15)
InChIKey
FWVXQIIZIYQFSF-UHFFFAOYSA-N
Compound name
2-[ethoxy(phenyl)methyl]-1,4,5,6-tetrahydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1419 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 151.8
[M+Na]+ 241.13112 164.3
[M+NH4]+ 236.17572 159.8
[M+K]+ 257.10506 157.3
[M-H]- 217.13462 154.6
[M+Na-2H]- 239.11657 159.7
[M]+ 218.14135 154.3
[M]- 218.14245 154.3
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.