CID 3011537

5-[2-(1-naphthyl)ethoxy]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C16H16N4O
SMILES
C1=CC=C2C(=C1)C=CC=C2CCOC3=CN=C(N=C3N)N
InChI
InChI=1S/C16H16N4O/c17-15-14(10-19-16(18)20-15)21-9-8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,10H,8-9H2,(H4,17,18,19,20)
InChIKey
ZWJPMFZDPUNZEE-UHFFFAOYSA-N
Compound name
5-(2-naphthalen-1-ylethoxy)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13242 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13970 164.5
[M+Na]+ 303.12164 172.7
[M-H]- 279.12514 168.7
[M+NH4]+ 298.16624 177.7
[M+K]+ 319.09558 166.9
[M+H-H2O]+ 263.12968 154.7
[M+HCOO]- 325.13062 186.3
[M+CH3COO]- 339.14627 175.3
[M+Na-2H]- 301.10709 171.8
[M]+ 280.13187 163.3
[M]- 280.13297 163.3
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.