CID 737901

3-(2-phenyl-thiazol-4-yl)-phenylamine

Structural Information

Molecular Formula
C15H12N2S
SMILES
C1=CC=C(C=C1)C2=NC(=CS2)C3=CC(=CC=C3)N
InChI
InChI=1S/C15H12N2S/c16-13-8-4-7-12(9-13)14-10-18-15(17-14)11-5-2-1-3-6-11/h1-10H,16H2
InChIKey
YYUPEYOWOHWJFZ-UHFFFAOYSA-N
Compound name
3-(2-phenyl-1,3-thiazol-4-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.07211 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07939 154.6
[M+Na]+ 275.06133 164.2
[M-H]- 251.06483 163.6
[M+NH4]+ 270.10593 172.3
[M+K]+ 291.03527 158.0
[M+H-H2O]+ 235.06937 146.8
[M+HCOO]- 297.07031 175.2
[M+CH3COO]- 311.08596 167.5
[M+Na-2H]- 273.04678 157.1
[M]+ 252.07156 154.5
[M]- 252.07266 154.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.