CID 604054

Bljlvibuxxhcgh-uhfffaoysa-n

Structural Information

Molecular Formula
C17H20N2O2
SMILES
CCCCNC(=O)NC1=CC=CC=C1OC2=CC=CC=C2
InChI
InChI=1S/C17H20N2O2/c1-2-3-13-18-17(20)19-15-11-7-8-12-16(15)21-14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3,(H2,18,19,20)
InChIKey
BLJLVIBUXXHCGH-UHFFFAOYSA-N
Compound name
1-butyl-3-(2-phenoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

284.15247 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.159746 167.0
[M+Na]+ 307.141688 171.4
[M-H]- 283.145194 173.1
[M+NH4]+ 302.186293 181.7
[M+K]+ 323.115628 167.8
[M+H-H2O]+ 267.149730 158.2
[M+HCOO]- 329.150671 192.0
[M+CH3COO]- 343.166321 204.9
[M+Na-2H]- 305.127136 172.3
[M]+ 284.15192142 167.4
[M]- 284.15301858 167.4
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.