CID 3024896

Phenol, 4-(2-amino-5-(3-pyridinyl)-4-thiazolyl)-

Structural Information

Molecular Formula
C14H11N3OS
SMILES
C1=CC(=CN=C1)C2=C(N=C(S2)N)C3=CC=C(C=C3)O
InChI
InChI=1S/C14H11N3OS/c15-14-17-12(9-3-5-11(18)6-4-9)13(19-14)10-2-1-7-16-8-10/h1-8,18H,(H2,15,17)
InChIKey
JVQVTQBFVCQUSR-UHFFFAOYSA-N
Compound name
4-(2-amino-5-pyridin-3-yl-1,3-thiazol-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]+ 270.069576 157.9
[M+Na]+ 292.051518 168.1
[M-H]- 268.055024 164.6
[M+NH4]+ 287.096123 173.0
[M+K]+ 308.025458 161.6
[M+H-H2O]+ 252.059560 149.8
[M+HCOO]- 314.060501 176.2
[M+CH3COO]- 328.076151 170.0
[M+Na-2H]- 290.036966 160.0
[M]+ 269.06175142 157.9
[M]- 269.06284858 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.