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]+ 347.11723 179.2
[M+Na]+ 369.09917 183.7
[M-H]- 345.10267 186.7
[M+NH4]+ 364.14377 189.5
[M+K]+ 385.07311 180.8
[M+H-H2O]+ 329.10721 170.0
[M+HCOO]- 391.10815 193.6
[M+CH3COO]- 405.12380 210.8
[M+Na-2H]- 367.08462 179.1
[M]+ 346.10940 177.8
[M]- 346.11050 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.