CID 3047726

Metibride

Structural Information

Molecular Formula
C18H18ClN3O2S2
SMILES
CN1C(=CSC1=NC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)S(=O)(=O)N(C)C
InChI
InChI=1S/C18H18ClN3O2S2/c1-21(2)26(23,24)17-11-13(9-10-15(17)19)16-12-25-18(22(16)3)20-14-7-5-4-6-8-14/h4-12H,1-3H3
InChIKey
NRWBCTIORMNETF-UHFFFAOYSA-N
Compound name
2-chloro-N,N-dimethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

407.0529 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.060176 195.4
[M+Na]+ 430.042118 206.0
[M-H]- 406.045624 207.4
[M+NH4]+ 425.086723 209.4
[M+K]+ 446.016058 199.1
[M+H-H2O]+ 390.050160 187.7
[M+HCOO]- 452.051101 207.4
[M+CH3COO]- 466.066751 225.3
[M+Na-2H]- 428.027566 195.6
[M]+ 407.05235142 203.2
[M]- 407.05344858 203.2
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.