CID 89166893

1072896-13-9

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NCCO
InChI
InChI=1S/C15H22N2O2/c1-11(2)12-6-5-7-13(10-12)15(3,4)17-14(19)16-8-9-18/h5-7,10,18H,1,8-9H2,2-4H3,(H2,16,17,19)
InChIKey
KAODWGNGVLOIAS-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

262.16812 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.175396 164.1
[M+Na]+ 285.157338 168.3
[M-H]- 261.160844 166.0
[M+NH4]+ 280.201943 179.6
[M+K]+ 301.131278 165.4
[M+H-H2O]+ 245.165380 157.7
[M+HCOO]- 307.166321 184.5
[M+CH3COO]- 321.181971 201.1
[M+Na-2H]- 283.142786 166.8
[M]+ 262.16757142 162.7
[M]- 262.16866858 162.7
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

patents stripe