CID 324089

1-(4-methylphenyl)-3-(1,3-thiazol-2-yl)urea

Structural Information

Molecular Formula
C11H11N3OS
SMILES
CC1=CC=C(C=C1)NC(=O)NC2=NC=CS2
InChI
InChI=1S/C11H11N3OS/c1-8-2-4-9(5-3-8)13-10(15)14-11-12-6-7-16-11/h2-7H,1H3,(H2,12,13,14,15)
InChIKey
SCKHIOSDMOKXAB-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-3-(1,3-thiazol-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

233.06229 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.069566 149.5
[M+Na]+ 256.051508 157.3
[M-H]- 232.055014 155.6
[M+NH4]+ 251.096113 167.9
[M+K]+ 272.025448 153.5
[M+H-H2O]+ 216.059550 142.0
[M+HCOO]- 278.060491 170.8
[M+CH3COO]- 292.076141 190.9
[M+Na-2H]- 254.036956 152.9
[M]+ 233.06174142 150.2
[M]- 233.06283858 150.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe