CID 9843631

Bms-193884

Structural Information

Molecular Formula
C20H17N3O4S
SMILES
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC=C2C3=CC=C(C=C3)C4=NC=CO4
InChI
InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-19(13)23-28(24,25)18-6-4-3-5-17(18)15-7-9-16(10-8-15)20-21-11-12-26-20/h3-12,23H,1-2H3
InChIKey
LJGUZUROJOJEMI-UHFFFAOYSA-N
Compound name
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

470
Patents

395.09396 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.101236 191.9
[M+Na]+ 418.083178 203.5
[M-H]- 394.086684 206.2
[M+NH4]+ 413.127783 201.9
[M+K]+ 434.057118 200.4
[M+H-H2O]+ 378.091220 184.4
[M+HCOO]- 440.092161 211.6
[M+CH3COO]- 454.107811 204.1
[M+Na-2H]- 416.068626 194.0
[M]+ 395.09341142 200.1
[M]- 395.09450858 200.1
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