CID 290219

5,6-dimethylfuro[2,3-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C8H9N3O
SMILES
CC1=C(OC2=NC=NC(=C12)N)C
InChI
InChI=1S/C8H9N3O/c1-4-5(2)12-8-6(4)7(9)10-3-11-8/h3H,1-2H3,(H2,9,10,11)
InChIKey
BCCQRVLPINNELE-UHFFFAOYSA-N
Compound name
5,6-dimethylfuro[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

163.07455 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.081826 131.3
[M+Na]+ 186.063768 143.8
[M-H]- 162.067274 134.9
[M+NH4]+ 181.108373 151.4
[M+K]+ 202.037708 141.9
[M+H-H2O]+ 146.071810 124.8
[M+HCOO]- 208.072751 155.4
[M+CH3COO]- 222.088401 146.4
[M+Na-2H]- 184.049216 139.5
[M]+ 163.07400142 134.5
[M]- 163.07509858 134.5
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

patents stripe