CID 18322993

802276-49-9

Structural Information

Molecular Formula

C₁₀H₈N₂O₂S

SMILES

C1=CC=C(C=C1)C2=C(N=C(S2)N)C(=O)O

InChI

InChI=1S/C10H8N2O2S/c11-10-12-7(9(13)14)8(15-10)6-4-2-1-3-5-6/h1-5H,(H2,11,12)(H,13,14)

InChIKey

VTYHQGNZJJXPBE-UHFFFAOYSA-N

Compound name

2-amino-5-phenyl-1,3-thiazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 54
Patents: 220.03065 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	221.03793	145.2
[M+Na]+	243.01987	154.4
[M-H]-	219.02337	150.0
[M+NH4]+	238.06447	163.5
[M+K]+	258.99381	150.2
[M+H-H2O]+	203.02791	138.7
[M+HCOO]-	265.02885	163.9
[M+CH3COO]-	279.04450	184.4
[M+Na-2H]-	241.00532	146.4
[M]+	220.03010	145.4
[M]-	220.03120	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe