CID 516688

5-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C14H18N4O2
SMILES
COC1=C(C=C(C=C1)CCC2=CN=C(N=C2N)N)OC
InChI
InChI=1S/C14H18N4O2/c1-19-11-6-4-9(7-12(11)20-2)3-5-10-8-17-14(16)18-13(10)15/h4,6-8H,3,5H2,1-2H3,(H4,15,16,17,18)
InChIKey
LNSYUYYLOWGAGN-UHFFFAOYSA-N
Compound name
5-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.14297 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15025 164.7
[M+Na]+ 297.13219 173.2
[M-H]- 273.13569 168.5
[M+NH4]+ 292.17679 177.6
[M+K]+ 313.10613 169.2
[M+H-H2O]+ 257.14023 155.2
[M+HCOO]- 319.14117 187.6
[M+CH3COO]- 333.15682 205.1
[M+Na-2H]- 295.11764 168.7
[M]+ 274.14242 165.8
[M]- 274.14352 165.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.