CID 3057828

74241-25-1

Structural Information

Molecular Formula
C19H17ClN2O3S
SMILES
COC(=O)CC1=C(N=C(S1)NCC2=CC=CC=C2O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H17ClN2O3S/c1-25-17(24)10-16-18(12-6-8-14(20)9-7-12)22-19(26-16)21-11-13-4-2-3-5-15(13)23/h2-9,23H,10-11H2,1H3,(H,21,22)
InChIKey
KTNMYXKMFXVTCD-UHFFFAOYSA-N
Compound name
methyl 2-[4-(4-chlorophenyl)-2-[(2-hydroxyphenyl)methylamino]-1,3-thiazol-5-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.06485 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.07213 189.8
[M+Na]+ 411.05407 203.6
[M+NH4]+ 406.09867 197.2
[M+K]+ 427.02801 195.5
[M-H]- 387.05757 195.0
[M+Na-2H]- 409.03952 197.8
[M]+ 388.06430 194.0
[M]- 388.06540 194.0
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.