CID 88915

Seedvax

Structural Information

Molecular Formula

C₁₁H₁₁N₃OS

SMILES

CC1=CC(=CC=C1)NC(=O)C2=CN=C(S2)N

InChI

InChI=1S/C11H11N3OS/c1-7-3-2-4-8(5-7)14-10(15)9-6-13-11(12)16-9/h2-6H,1H3,(H2,12,13)(H,14,15)

InChIKey

VTPFBKSJLIUDRD-UHFFFAOYSA-N

Compound name

2-amino-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 334
Patents: 233.06229 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]+	234.06957	150.4
[M+Na]+	256.05151	161.2
[M+NH4]+	251.09611	158.5
[M+K]+	272.02545	155.4
[M-H]-	232.05501	154.4
[M+Na-2H]-	254.03696	157.3
[M]+	233.06174	153.3
[M]-	233.06284	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe