CID 4078434

1-(4-amino-2-hydroxyphenyl)-3-butylurea

Structural Information

Molecular Formula
C11H17N3O2
SMILES
CCCCNC(=O)NC1=C(C=C(C=C1)N)O
InChI
InChI=1S/C11H17N3O2/c1-2-3-6-13-11(16)14-9-5-4-8(12)7-10(9)15/h4-5,7,15H,2-3,6,12H2,1H3,(H2,13,14,16)
InChIKey
BELUYWADOSQWCN-UHFFFAOYSA-N
Compound name
1-(4-amino-2-hydroxyphenyl)-3-butylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.13208 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.13936 151.6
[M+Na]+ 246.12130 159.8
[M+NH4]+ 241.16590 157.7
[M+K]+ 262.09524 155.2
[M-H]- 222.12480 153.4
[M+Na-2H]- 244.10675 155.7
[M]+ 223.13153 152.7
[M]- 223.13263 152.7
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.