CID 2761276

117420-86-7

Structural Information

Molecular Formula
C17H16N2O2S3
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=C(S2)SCC3=CC=CC=C3)N
InChI
InChI=1S/C17H16N2O2S3/c1-12-7-9-14(10-8-12)24(20,21)16-15(18)19-17(23-16)22-11-13-5-3-2-4-6-13/h2-10H,11,18H2,1H3
InChIKey
LWUDMOMOXWNGDX-UHFFFAOYSA-N
Compound name
2-benzylsulfanyl-5-(4-methylphenyl)sulfonyl-1,3-thiazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.03738 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.04466 185.4
[M+Na]+ 399.02660 195.5
[M-H]- 375.03010 192.8
[M+NH4]+ 394.07120 198.3
[M+K]+ 415.00054 186.2
[M+H-H2O]+ 359.03464 178.6
[M+HCOO]- 421.03558 193.4
[M+CH3COO]- 435.05123 195.0
[M+Na-2H]- 397.01205 185.3
[M]+ 376.03683 187.4
[M]- 376.03793 187.4
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.