CID 2519269

5-(dimethylsulfamoyl)-n-(5-methyl-1,3-thiazol-2-yl)-2-(pyrrolidin-1-yl)benzamide

Structural Information

Molecular Formula
C17H22N4O3S2
SMILES
CC1=CN=C(S1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3
InChI
InChI=1S/C17H22N4O3S2/c1-12-11-18-17(25-12)19-16(22)14-10-13(26(23,24)20(2)3)6-7-15(14)21-8-4-5-9-21/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,19,22)
InChIKey
QPKGRLIYJGBKJL-UHFFFAOYSA-N
Compound name
5-(dimethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

19
Patents

394.11334 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.12062 192.3
[M+Na]+ 417.10256 199.0
[M-H]- 393.10606 201.3
[M+NH4]+ 412.14716 205.4
[M+K]+ 433.07650 195.2
[M+H-H2O]+ 377.11060 185.2
[M+HCOO]- 439.11154 204.1
[M+CH3COO]- 453.12719 221.6
[M+Na-2H]- 415.08801 189.7
[M]+ 394.11279 195.6
[M]- 394.11389 195.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe