CID 76075

2834-79-9

Structural Information

Molecular Formula

C₁₅H₁₂N₂S

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CSC(=N3)N

InChI

InChI=1S/C15H12N2S/c16-15-17-14(10-18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H2,16,17)

InChIKey

HTAUVJPDFDVVHV-UHFFFAOYSA-N

Compound name

4-(4-phenylphenyl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 128
Patents: 252.07211 Da
Monoisotopic Mass: 3.9
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]+	253.07939	154.9
[M+Na]+	275.06133	170.1
[M+NH4]+	270.10593	165.2
[M+K]+	291.03527	161.2
[M-H]-	251.06483	162.4
[M+Na-2H]-	273.04678	166.2
[M]+	252.07156	159.8
[M]-	252.07266	159.8

Literature stripe

literature stripe

Patent stripe

patents stripe