CID 753704

312636-16-1

Structural Information

Molecular Formula
C15H11ClN2OS
SMILES
C1=CC(=CC=C1C2=CSC(=N2)NC3=CC=C(C=C3)O)Cl
InChI
InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)
InChIKey
ZFGXZJKLOFCECI-UHFFFAOYSA-N
Compound name
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

79
References

159
Patents

302.02808 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.035356 164.9
[M+Na]+ 325.017298 175.3
[M-H]- 301.020804 173.2
[M+NH4]+ 320.061903 181.2
[M+K]+ 340.991238 167.7
[M+H-H2O]+ 285.025340 157.9
[M+HCOO]- 347.026281 180.2
[M+CH3COO]- 361.041931 177.1
[M+Na-2H]- 323.002746 167.0
[M]+ 302.02753142 167.9
[M]- 302.02862858 167.9
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

No patent data available for this compound.