CID 201351

Urea, (5-amino-2-(octyloxy)benzyl)-

Structural Information

Molecular Formula
C16H27N3O2
SMILES
CCCCCCCCOC1=C(C=C(C=C1)N)CNC(=O)N
InChI
InChI=1S/C16H27N3O2/c1-2-3-4-5-6-7-10-21-15-9-8-14(17)11-13(15)12-19-16(18)20/h8-9,11H,2-7,10,12,17H2,1H3,(H3,18,19,20)
InChIKey
GWBCITLVTFCWIF-UHFFFAOYSA-N
Compound name
(5-amino-2-octoxyphenyl)methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.21033 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.21761 172.8
[M+Na]+ 316.19955 176.4
[M-H]- 292.20305 174.6
[M+NH4]+ 311.24415 187.0
[M+K]+ 332.17349 173.1
[M+H-H2O]+ 276.20759 164.6
[M+HCOO]- 338.20853 196.4
[M+CH3COO]- 352.22418 212.2
[M+Na-2H]- 314.18500 173.4
[M]+ 293.20978 173.1
[M]- 293.21088 173.1
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.