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

literature stripe

Patent stripe

patents stripe