CID 390790

Nsc688724

Structural Information

Molecular Formula
C12H16N6O
SMILES
CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2N)N)N
InChI
InChI=1S/C12H16N6O/c1-2-19-8-5-3-7(4-6-8)16-11-9(13)10(14)17-12(15)18-11/h3-6H,2,13H2,1H3,(H5,14,15,16,17,18)
InChIKey
NBPUMJMPVWDNJC-UHFFFAOYSA-N
Compound name
4-N-(4-ethoxyphenyl)pyrimidine-2,4,5,6-tetramine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.13855 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14583 158.9
[M+Na]+ 283.12777 166.8
[M-H]- 259.13127 162.8
[M+NH4]+ 278.17237 171.6
[M+K]+ 299.10171 162.5
[M+H-H2O]+ 243.13581 149.5
[M+HCOO]- 305.13675 183.8
[M+CH3COO]- 319.15240 207.2
[M+Na-2H]- 281.11322 164.1
[M]+ 260.13800 155.8
[M]- 260.13910 155.8
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.