CID 5278579

1-methyl-1-[4-methyl-5-(methylsulfamoyl)thiazol-2-yl]-3-(4-morpholinophenyl)urea

Structural Information

Molecular Formula
C17H23N5O4S2
SMILES
CC1=C(SC(=N1)N(C)C(=O)NC2=CC=C(C=C2)N3CCOCC3)S(=O)(=O)NC
InChI
InChI=1S/C17H23N5O4S2/c1-12-15(28(24,25)18-2)27-17(19-12)21(3)16(23)20-13-4-6-14(7-5-13)22-8-10-26-11-9-22/h4-7,18H,8-11H2,1-3H3,(H,20,23)
InChIKey
HHXKOOGXPJHMQS-UHFFFAOYSA-N
Compound name
1-methyl-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

425.11914 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.12642 196.3
[M+Na]+ 448.10836 200.7
[M-H]- 424.11186 204.5
[M+NH4]+ 443.15296 204.1
[M+K]+ 464.08230 197.6
[M+H-H2O]+ 408.11640 187.8
[M+HCOO]- 470.11734 206.2
[M+CH3COO]- 484.13299 229.2
[M+Na-2H]- 446.09381 197.3
[M]+ 425.11859 197.8
[M]- 425.11969 197.8
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

patents stripe