CID 753704

Ski ii

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

179
Patents

302.02808 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.03536 164.9
[M+Na]+ 325.01730 175.3
[M-H]- 301.02080 173.2
[M+NH4]+ 320.06190 181.2
[M+K]+ 340.99124 167.7
[M+H-H2O]+ 285.02534 157.9
[M+HCOO]- 347.02628 180.2
[M+CH3COO]- 361.04193 177.1
[M+Na-2H]- 323.00275 167.0
[M]+ 302.02753 167.9
[M]- 302.02863 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

literature stripe

Patent stripe

patents stripe