CID 3391697

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

278.19943 Da
Monoisotopic Mass

3.8
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

No literature data available for this compound.

Patent stripe

patents stripe