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]+ 224.175736 153.5
[M+Na]+ 246.157678 160.9
[M-H]- 222.161184 155.7
[M+NH4]+ 241.202283 170.1
[M+K]+ 262.131618 159.7
[M+H-H2O]+ 206.165720 145.1
[M+HCOO]- 268.166661 176.2
[M+CH3COO]- 282.182311 198.4
[M+Na-2H]- 244.143126 158.4
[M]+ 223.16791142 158.3
[M]- 223.16900858 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.