CID 2812477

Mls000850259

Structural Information

Molecular Formula
C20H22N4O4S
SMILES
CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)NC2=C(ON=C2C3=CC=CC=C3)C
InChI
InChI=1S/C20H22N4O4S/c1-13-10-11-16(29(26,27)24(3)4)12-17(13)21-20(25)22-18-14(2)28-23-19(18)15-8-6-5-7-9-15/h5-12H,1-4H3,(H2,21,22,25)
InChIKey
OEWPYWFPYAEABS-UHFFFAOYSA-N
Compound name
1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

414.13617 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.143446 199.3
[M+Na]+ 437.125388 206.2
[M-H]- 413.128894 210.8
[M+NH4]+ 432.169993 209.0
[M+K]+ 453.099328 203.7
[M+H-H2O]+ 397.133430 190.1
[M+HCOO]- 459.134371 218.8
[M+CH3COO]- 473.150021 231.6
[M+Na-2H]- 435.110836 201.1
[M]+ 414.13562142 204.9
[M]- 414.13671858 204.9
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

No patent data available for this compound.