CID 187657

1-(1-hydroxybutan-2-yl)-3-(4-methoxyphenyl)urea

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CCC(CO)NC(=O)NC1=CC=C(C=C1)OC
InChI
InChI=1S/C12H18N2O3/c1-3-9(8-15)13-12(16)14-10-4-6-11(17-2)7-5-10/h4-7,9,15H,3,8H2,1-2H3,(H2,13,14,16)
InChIKey
FUDJIZTYMVEDDF-UHFFFAOYSA-N
Compound name
1-(1-hydroxybutan-2-yl)-3-(4-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

238.13174 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.139016 155.1
[M+Na]+ 261.120958 159.6
[M-H]- 237.124464 157.0
[M+NH4]+ 256.165563 171.3
[M+K]+ 277.094898 158.1
[M+H-H2O]+ 221.129000 148.0
[M+HCOO]- 283.129941 178.0
[M+CH3COO]- 297.145591 194.7
[M+Na-2H]- 259.106406 158.5
[M]+ 238.13119142 155.1
[M]- 238.13228858 155.1
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

patents stripe