CID 202117

Sd 4202

Structural Information

Molecular Formula
C10H19N5O
SMILES
CCN(CC)CCOC1=NC(=NC(=C1)N)N
InChI
InChI=1S/C10H19N5O/c1-3-15(4-2)5-6-16-9-7-8(11)13-10(12)14-9/h7H,3-6H2,1-2H3,(H4,11,12,13,14)
InChIKey
QTDWOMFIPLCPDL-UHFFFAOYSA-N
Compound name
6-[2-(diethylamino)ethoxy]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

225.15897 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.166246 152.6
[M+Na]+ 248.148188 159.0
[M-H]- 224.151694 154.1
[M+NH4]+ 243.192793 167.8
[M+K]+ 264.122128 157.7
[M+H-H2O]+ 208.156230 143.8
[M+HCOO]- 270.157171 176.8
[M+CH3COO]- 284.172821 201.2
[M+Na-2H]- 246.133636 157.2
[M]+ 225.15842142 153.1
[M]- 225.15951858 153.1
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

patents stripe