CID 3559325

1,1-dibutyl-3-(4-methoxyphenyl)urea

Structural Information

Molecular Formula
C16H26N2O2
SMILES
CCCCN(CCCC)C(=O)NC1=CC=C(C=C1)OC
InChI
InChI=1S/C16H26N2O2/c1-4-6-12-18(13-7-5-2)16(19)17-14-8-10-15(20-3)11-9-14/h8-11H,4-7,12-13H2,1-3H3,(H,17,19)
InChIKey
OMLOKUUYXXMXED-UHFFFAOYSA-N
Compound name
1,1-dibutyl-3-(4-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

278.19943 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.206706 170.3
[M+Na]+ 301.188648 174.0
[M-H]- 277.192154 174.3
[M+NH4]+ 296.233253 186.5
[M+K]+ 317.162588 172.7
[M+H-H2O]+ 261.196690 162.2
[M+HCOO]- 323.197631 194.7
[M+CH3COO]- 337.213281 209.5
[M+Na-2H]- 299.174096 172.5
[M]+ 278.19888142 174.2
[M]- 278.19997858 174.2
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