CID 467765

7-ethyl-6-(2-methoxyphenyl)pteridine-2,4-diamine

Structural Information

Molecular Formula
C15H16N6O
SMILES
CCC1=C(N=C2C(=NC(=NC2=N1)N)N)C3=CC=CC=C3OC
InChI
InChI=1S/C15H16N6O/c1-3-9-11(8-6-4-5-7-10(8)22-2)19-12-13(16)20-15(17)21-14(12)18-9/h4-7H,3H2,1-2H3,(H4,16,17,18,20,21)
InChIKey
ZBELNACOIKZICT-UHFFFAOYSA-N
Compound name
7-ethyl-6-(2-methoxyphenyl)pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.13855 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14583 173.3
[M+Na]+ 319.12777 183.9
[M-H]- 295.13127 175.8
[M+NH4]+ 314.17237 183.7
[M+K]+ 335.10171 177.6
[M+H-H2O]+ 279.13581 162.6
[M+HCOO]- 341.13675 192.6
[M+CH3COO]- 355.15240 183.5
[M+Na-2H]- 317.11322 179.5
[M]+ 296.13800 173.6
[M]- 296.13910 173.6
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.