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

16
Patents

233.06229 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.06957 149.5
[M+Na]+ 256.05151 157.3
[M-H]- 232.05501 155.6
[M+NH4]+ 251.09611 167.9
[M+K]+ 272.02545 153.5
[M+H-H2O]+ 216.05955 142.0
[M+HCOO]- 278.06049 170.8
[M+CH3COO]- 292.07614 190.9
[M+Na-2H]- 254.03696 152.9
[M]+ 233.06174 150.2
[M]- 233.06284 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