CID 3057827

74241-24-0

Structural Information

Molecular Formula
C19H17ClN2O3S
SMILES
COC(=O)CC1=C(N=C(S1)NCC2=CC=C(C=C2)O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H17ClN2O3S/c1-25-17(24)10-16-18(13-4-6-14(20)7-5-13)22-19(26-16)21-11-12-2-8-15(23)9-3-12/h2-9,23H,10-11H2,1H3,(H,21,22)
InChIKey
CYIMHUKURDKKRN-UHFFFAOYSA-N
Compound name
methyl 2-[4-(4-chlorophenyl)-2-[(4-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 188.6
[M+Na]+ 411.05407 197.3
[M-H]- 387.05757 196.7
[M+NH4]+ 406.09867 201.3
[M+K]+ 427.02801 190.4
[M+H-H2O]+ 371.06211 181.0
[M+HCOO]- 433.06305 202.0
[M+CH3COO]- 447.07870 215.2
[M+Na-2H]- 409.03952 187.4
[M]+ 388.06430 194.7
[M]- 388.06540 194.7
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.