CID 24846665

Thiazole-5-acetic acid, 4-(p-chlorophenyl)-2-(o-hydroxy-alpha-sulfobenzylamino)-, methyl ester

Structural Information

Molecular Formula
C19H17ClN2O6S2
SMILES
COC(=O)CC1=C(N=C(S1)N(CC2=CC=CC=C2O)S(=O)(=O)O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H17ClN2O6S2/c1-28-17(24)10-16-18(12-6-8-14(20)9-7-12)21-19(29-16)22(30(25,26)27)11-13-4-2-3-5-15(13)23/h2-9,23H,10-11H2,1H3,(H,25,26,27)
InChIKey
XFVHQQNEQQVNRL-UHFFFAOYSA-N
Compound name
[4-(4-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]-[(2-hydroxyphenyl)methyl]sulfamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.02167 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.02895 203.5
[M+Na]+ 491.01089 214.0
[M+NH4]+ 486.05549 208.3
[M+K]+ 506.98483 207.7
[M-H]- 467.01439 206.0
[M+Na-2H]- 488.99634 209.2
[M]+ 468.02112 206.6
[M]- 468.02222 206.6
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.