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 150.8
[M+Na]+ 246.12130 156.2
[M-H]- 222.12480 152.7
[M+NH4]+ 241.16590 167.5
[M+K]+ 262.09524 153.6
[M+H-H2O]+ 206.12934 143.9
[M+HCOO]- 268.13028 175.2
[M+CH3COO]- 282.14593 194.6
[M+Na-2H]- 244.10675 154.5
[M]+ 223.13153 148.3
[M]- 223.13263 148.3
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.