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]+ 294.217606 172.8
[M+Na]+ 316.199548 176.4
[M-H]- 292.203054 174.6
[M+NH4]+ 311.244153 187.0
[M+K]+ 332.173488 173.1
[M+H-H2O]+ 276.207590 164.6
[M+HCOO]- 338.208531 196.4
[M+CH3COO]- 352.224181 212.2
[M+Na-2H]- 314.184996 173.4
[M]+ 293.20978142 173.1
[M]- 293.21087858 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.