CID 11716665

851371-22-7

Structural Information

Molecular Formula
C17H12N6O
SMILES
C1=CC(=CN=C1)NC2=NC=C(C(=N2)C3=CC=CO3)C4=NC=NC=C4
InChI
InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
InChIKey
YRPIMMMBNUUYLG-UHFFFAOYSA-N
Compound name
4-(furan-2-yl)-N-pyridin-3-yl-5-pyrimidin-4-ylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

33
Patents

316.10727 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.11455 171.4
[M+Na]+ 339.09649 180.2
[M-H]- 315.09999 178.6
[M+NH4]+ 334.14109 177.9
[M+K]+ 355.07043 174.1
[M+H-H2O]+ 299.10453 158.2
[M+HCOO]- 361.10547 191.1
[M+CH3COO]- 375.12112 181.4
[M+Na-2H]- 337.08194 179.0
[M]+ 316.10672 171.2
[M]- 316.10782 171.2
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