CID 482062

1-phenethyl-3-(2-pyridyl)urea

Structural Information

Molecular Formula
C14H15N3O
SMILES
C1=CC=C(C=C1)CCNC(=O)NC2=CC=CC=N2
InChI
InChI=1S/C14H15N3O/c18-14(17-13-8-4-5-10-15-13)16-11-9-12-6-2-1-3-7-12/h1-8,10H,9,11H2,(H2,15,16,17,18)
InChIKey
OIXRJWWSXADDGS-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)-3-pyridin-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1215 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.128776 154.0
[M+Na]+ 264.110718 159.0
[M-H]- 240.114224 158.9
[M+NH4]+ 259.155323 169.0
[M+K]+ 280.084658 155.2
[M+H-H2O]+ 224.118760 145.0
[M+HCOO]- 286.119701 178.7
[M+CH3COO]- 300.135351 195.2
[M+Na-2H]- 262.096166 162.0
[M]+ 241.12095142 152.1
[M]- 241.12204858 152.1
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.