CID 12463535

4-(2-(4-methoxyphenyl)-1,3-thiazol-4-yl)phenylamine

Structural Information

Molecular Formula
C16H14N2OS
SMILES
COC1=CC=C(C=C1)C2=NC(=CS2)C3=CC=C(C=C3)N
InChI
InChI=1S/C16H14N2OS/c1-19-14-8-4-12(5-9-14)16-18-15(10-20-16)11-2-6-13(17)7-3-11/h2-10H,17H2,1H3
InChIKey
XXJPQYQMGHLTJO-UHFFFAOYSA-N
Compound name
4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

282.08267 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08995 163.0
[M+Na]+ 305.07189 172.7
[M-H]- 281.07539 172.1
[M+NH4]+ 300.11649 179.6
[M+K]+ 321.04583 166.9
[M+H-H2O]+ 265.07993 155.0
[M+HCOO]- 327.08087 183.4
[M+CH3COO]- 341.09652 175.6
[M+Na-2H]- 303.05734 164.4
[M]+ 282.08212 164.9
[M]- 282.08322 164.9
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

patents stripe