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]+ 239.13902 155.1
[M+Na]+ 261.12096 159.6
[M-H]- 237.12446 157.0
[M+NH4]+ 256.16556 171.3
[M+K]+ 277.09490 158.1
[M+H-H2O]+ 221.12900 148.0
[M+HCOO]- 283.12994 178.0
[M+CH3COO]- 297.14559 194.7
[M+Na-2H]- 259.10641 158.5
[M]+ 238.13119 155.1
[M]- 238.13229 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