CID 24846664

102367-78-2

Structural Information

Molecular Formula
C21H22ClN3O5S2
SMILES
CN(C)C1=CC=CC=C1CN(C2=NC(=C(S2)CC(=O)OC)C3=CC=C(C=C3)Cl)S(=O)(=O)O
InChI
InChI=1S/C21H22ClN3O5S2/c1-24(2)17-7-5-4-6-15(17)13-25(32(27,28)29)21-23-20(14-8-10-16(22)11-9-14)18(31-21)12-19(26)30-3/h4-11H,12-13H2,1-3H3,(H,27,28,29)
InChIKey
FQZHGOARMFBINM-UHFFFAOYSA-N
Compound name
[4-(4-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]-[[2-(dimethylamino)phenyl]methyl]sulfamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.06894 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.07622 212.7
[M+Na]+ 518.05816 219.1
[M-H]- 494.06166 222.8
[M+NH4]+ 513.10276 221.6
[M+K]+ 534.03210 214.5
[M+H-H2O]+ 478.06620 205.1
[M+HCOO]- 540.06714 221.0
[M+CH3COO]- 554.08279 239.4
[M+Na-2H]- 516.04361 211.7
[M]+ 495.06839 222.8
[M]- 495.06949 222.8
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.