CID 463247

Urea, n-(2-phenylethyl)-n'-2-thiazolyl-

Structural Information

Molecular Formula
C12H13N3OS
SMILES
C1=CC=C(C=C1)CCNC(=O)NC2=NC=CS2
InChI
InChI=1S/C12H13N3OS/c16-11(15-12-14-8-9-17-12)13-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,13,14,15,16)
InChIKey
UMRYTJAWZACPDH-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)-3-(1,3-thiazol-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

247.07793 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.08521 153.4
[M+Na]+ 270.06715 159.8
[M-H]- 246.07065 158.9
[M+NH4]+ 265.11175 170.8
[M+K]+ 286.04109 155.8
[M+H-H2O]+ 230.07519 145.4
[M+HCOO]- 292.07613 174.4
[M+CH3COO]- 306.09178 192.8
[M+Na-2H]- 268.05260 157.0
[M]+ 247.07738 154.0
[M]- 247.07848 154.0
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.