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 151.1
[M+Na]+ 241.13112 155.3
[M-H]- 217.13462 152.5
[M+NH4]+ 236.17572 165.4
[M+K]+ 257.10506 151.8
[M+H-H2O]+ 201.13916 142.1
[M+HCOO]- 263.14010 167.9
[M+CH3COO]- 277.15575 185.3
[M+Na-2H]- 239.11657 156.1
[M]+ 218.14135 146.8
[M]- 218.14245 146.8
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.