CID 491974

Schembl7670528

Structural Information

Molecular Formula
C18H25N5O4S2
SMILES
CC1=C(SC(=N1)N(C)C(=O)NC2=CC=C(C=C2)N3CCOCC3)S(=O)(=O)N(C)C
InChI
InChI=1S/C18H25N5O4S2/c1-13-16(29(25,26)21(2)3)28-18(19-13)22(4)17(24)20-14-5-7-15(8-6-14)23-9-11-27-12-10-23/h5-8H,9-12H2,1-4H3,(H,20,24)
InChIKey
ZYHVAENKGBQGJU-UHFFFAOYSA-N
Compound name
1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-1-methyl-3-(4-morpholin-4-ylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

439.1348 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.14208 201.0
[M+Na]+ 462.12402 205.0
[M-H]- 438.12752 210.5
[M+NH4]+ 457.16862 208.8
[M+K]+ 478.09796 203.2
[M+H-H2O]+ 422.13206 192.2
[M+HCOO]- 484.13300 210.9
[M+CH3COO]- 498.14865 235.1
[M+Na-2H]- 460.10947 201.0
[M]+ 439.13425 204.0
[M]- 439.13535 204.0
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.