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]+ 283.089946 163.0
[M+Na]+ 305.071888 172.7
[M-H]- 281.075394 172.1
[M+NH4]+ 300.116493 179.6
[M+K]+ 321.045828 166.9
[M+H-H2O]+ 265.079930 155.0
[M+HCOO]- 327.080871 183.4
[M+CH3COO]- 341.096521 175.6
[M+Na-2H]- 303.057336 164.4
[M]+ 282.08212142 164.9
[M]- 282.08321858 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