CID 135771912

908564-58-9

Structural Information

Molecular Formula
C14H11N3O2
SMILES
C1=CC=C(C(=C1)C2=CC(=NC(=N2)N)C3=CC=CO3)O
InChI
InChI=1S/C14H11N3O2/c15-14-16-10(9-4-1-2-5-12(9)18)8-11(17-14)13-6-3-7-19-13/h1-8,18H,(H2,15,16,17)
InChIKey
IBEMCRXKXRILBG-UHFFFAOYSA-N
Compound name
2-[2-amino-6-(furan-2-yl)pyrimidin-4-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.08513 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09241 155.2
[M+Na]+ 276.07435 164.6
[M-H]- 252.07785 162.4
[M+NH4]+ 271.11895 168.7
[M+K]+ 292.04829 160.6
[M+H-H2O]+ 236.08239 146.2
[M+HCOO]- 298.08333 177.5
[M+CH3COO]- 312.09898 167.6
[M+Na-2H]- 274.05980 160.5
[M]+ 253.08458 154.7
[M]- 253.08568 154.7
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.