CID 51296

Ns-4231

Structural Information

Molecular Formula
C12H21N3O
SMILES
CCN(CC)CCOC1=NC(=NC(=C1)C)C
InChI
InChI=1S/C12H21N3O/c1-5-15(6-2)7-8-16-12-9-10(3)13-11(4)14-12/h9H,5-8H2,1-4H3
InChIKey
JGRMKMZZQJFUMT-UHFFFAOYSA-N
Compound name
2-(2,6-dimethylpyrimidin-4-yl)oxy-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.16846 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.17574 153.5
[M+Na]+ 246.15768 160.9
[M-H]- 222.16118 155.7
[M+NH4]+ 241.20228 170.1
[M+K]+ 262.13162 159.7
[M+H-H2O]+ 206.16572 145.1
[M+HCOO]- 268.16666 176.2
[M+CH3COO]- 282.18231 198.4
[M+Na-2H]- 244.14313 158.4
[M]+ 223.16791 158.3
[M]- 223.16901 158.3
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.