CID 3074056

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

Structural Information

Molecular Formula
C16H18N4O3S
SMILES
CC1=NSC(=C1C(=O)N2CCOCC2)NC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C16H18N4O3S/c1-11-13(15(21)20-7-9-23-10-8-20)14(24-19-11)18-16(22)17-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H2,17,18,22)
InChIKey
OWJSUKASOSPTES-UHFFFAOYSA-N
Compound name
1-[3-methyl-4-(morpholine-4-carbonyl)-1,2-thiazol-5-yl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.10995 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.117226 179.2
[M+Na]+ 369.099168 183.7
[M-H]- 345.102674 186.7
[M+NH4]+ 364.143773 189.5
[M+K]+ 385.073108 180.8
[M+H-H2O]+ 329.107210 170.0
[M+HCOO]- 391.108151 193.6
[M+CH3COO]- 405.123801 210.8
[M+Na-2H]- 367.084616 179.1
[M]+ 346.10940142 177.8
[M]- 346.11049858 177.8
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

No patent data available for this compound.