CID 3055035

71933-42-1

Structural Information

Molecular Formula
C16H21N3O3S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(S2)CCN3CCOCC3
InChI
InChI=1S/C16H21N3O3S2/c1-13-2-4-15(5-3-13)24(20,21)18-16-17-12-14(23-16)6-7-19-8-10-22-11-9-19/h2-5,12H,6-11H2,1H3,(H,17,18)
InChIKey
CQQIPOBARDOLFH-UHFFFAOYSA-N
Compound name
4-methyl-N-[5-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.10245 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.10973 182.5
[M+Na]+ 390.09167 189.1
[M-H]- 366.09517 189.6
[M+NH4]+ 385.13627 193.0
[M+K]+ 406.06561 184.5
[M+H-H2O]+ 350.09971 174.8
[M+HCOO]- 412.10065 191.5
[M+CH3COO]- 426.11630 210.5
[M+Na-2H]- 388.07712 183.2
[M]+ 367.10190 183.5
[M]- 367.10300 183.5
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.