CID 293506

1-(2-chloroethyl)-3-(1-indanyl)urea

Structural Information

Molecular Formula
C12H15ClN2O
SMILES
C1CC2=CC=CC=C2C1NC(=O)NCCCl
InChI
InChI=1S/C12H15ClN2O/c13-7-8-14-12(16)15-11-6-5-9-3-1-2-4-10(9)11/h1-4,11H,5-8H2,(H2,14,15,16)
InChIKey
PIYKOGHGUHCXDC-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

238.0873 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09458 152.0
[M+Na]+ 261.07652 162.3
[M+NH4]+ 256.12112 160.9
[M+K]+ 277.05046 156.7
[M-H]- 237.08002 154.9
[M+Na-2H]- 259.06197 157.0
[M]+ 238.08675 154.3
[M]- 238.08785 154.3
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

patents stripe