CID 135771913

908564-60-3

Structural Information

Molecular Formula
C14H11N3OS
SMILES
C1=CC=C(C(=C1)C2=CC(=NC(=N2)N)C3=CC=CS3)O
InChI
InChI=1S/C14H11N3OS/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
YEFMELKNDDLCAJ-UHFFFAOYSA-N
Compound name
2-(2-amino-6-thiophen-2-ylpyrimidin-4-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.0623 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.06958 157.9
[M+Na]+ 292.05152 168.1
[M-H]- 268.05502 164.6
[M+NH4]+ 287.09612 173.0
[M+K]+ 308.02546 161.6
[M+H-H2O]+ 252.05956 149.8
[M+HCOO]- 314.06050 176.2
[M+CH3COO]- 328.07615 170.0
[M+Na-2H]- 290.03697 160.0
[M]+ 269.06175 157.9
[M]- 269.06285 157.9
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.