CID 3055635

Pyrimidine, 1,4,5,6-tetrahydro-2-((2,3,5,6-tetramethylphenoxy)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C15H22N2O
SMILES
CC1=CC(=C(C(=C1C)OCC2=NCCCN2)C)C
InChI
InChI=1S/C15H22N2O/c1-10-8-11(2)13(4)15(12(10)3)18-9-14-16-6-5-7-17-14/h8H,5-7,9H2,1-4H3,(H,16,17)
InChIKey
WEHCEXYZZNQKIQ-UHFFFAOYSA-N
Compound name
2-[(2,3,5,6-tetramethylphenoxy)methyl]-1,4,5,6-tetrahydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.17322 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.180496 160.4
[M+Na]+ 269.162438 167.9
[M-H]- 245.165944 162.9
[M+NH4]+ 264.207043 174.9
[M+K]+ 285.136378 163.4
[M+H-H2O]+ 229.170480 151.9
[M+HCOO]- 291.171421 177.5
[M+CH3COO]- 305.187071 195.1
[M+Na-2H]- 267.147886 162.5
[M]+ 246.17267142 159.1
[M]- 246.17376858 159.1
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.