CID 3074055

Morpholine, 4-((5-(((butylamino)carbonyl)amino)-3-methyl-4-isothiazolyl)carbonyl)-

Structural Information

Molecular Formula
C14H22N4O3S
SMILES
CCCCNC(=O)NC1=C(C(=NS1)C)C(=O)N2CCOCC2
InChI
InChI=1S/C14H22N4O3S/c1-3-4-5-15-14(20)16-12-11(10(2)17-22-12)13(19)18-6-8-21-9-7-18/h3-9H2,1-2H3,(H2,15,16,20)
InChIKey
UDXRJZZJWWBZSH-UHFFFAOYSA-N
Compound name
1-butyl-3-[3-methyl-4-(morpholine-4-carbonyl)-1,2-thiazol-5-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.14127 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.14855 177.3
[M+Na]+ 349.13049 181.1
[M-H]- 325.13399 181.3
[M+NH4]+ 344.17509 188.9
[M+K]+ 365.10443 179.1
[M+H-H2O]+ 309.13853 168.7
[M+HCOO]- 371.13947 190.7
[M+CH3COO]- 385.15512 208.8
[M+Na-2H]- 347.11594 175.6
[M]+ 326.14072 177.5
[M]- 326.14182 177.5
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.