CID 482050

Schembl77064

Structural Information

Molecular Formula
C16H21N3OS
SMILES
CC(C)(C)C1=CSC(=N1)NC(=O)NCCC2=CC=CC=C2
InChI
InChI=1S/C16H21N3OS/c1-16(2,3)13-11-21-15(18-13)19-14(20)17-10-9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H2,17,18,19,20)
InChIKey
WCSQOXOOYGTJQN-UHFFFAOYSA-N
Compound name
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

303.14053 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.14781 173.0
[M+Na]+ 326.12975 178.8
[M-H]- 302.13325 178.4
[M+NH4]+ 321.17435 188.6
[M+K]+ 342.10369 174.4
[M+H-H2O]+ 286.13779 165.1
[M+HCOO]- 348.13873 191.0
[M+CH3COO]- 362.15438 205.5
[M+Na-2H]- 324.11520 174.7
[M]+ 303.13998 174.7
[M]- 303.14108 174.7
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

patents stripe