CID 11630794

1-(3-isopentyloxy-2-pyridyl)-3-phenyl-urea

Structural Information

Molecular Formula
C17H21N3O2
SMILES
CC(C)CCOC1=C(N=CC=C1)NC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C17H21N3O2/c1-13(2)10-12-22-15-9-6-11-18-16(15)20-17(21)19-14-7-4-3-5-8-14/h3-9,11,13H,10,12H2,1-2H3,(H2,18,19,20,21)
InChIKey
JJCBREAFQMBOOY-UHFFFAOYSA-N
Compound name
1-[3-(3-methylbutoxy)pyridin-2-yl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.1634 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.17068 171.6
[M+Na]+ 322.15262 175.7
[M-H]- 298.15612 176.4
[M+NH4]+ 317.19722 184.3
[M+K]+ 338.12656 172.5
[M+H-H2O]+ 282.16066 162.0
[M+HCOO]- 344.16160 194.4
[M+CH3COO]- 358.17725 208.4
[M+Na-2H]- 320.13807 176.0
[M]+ 299.16285 171.9
[M]- 299.16395 171.9
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

No patent data available for this compound.