CID 293592

Urea, 1-(1-anthryl)-3-(2-chloroethyl)-

Structural Information

Molecular Formula
C17H15ClN2O
SMILES
C1=CC=C2C=C3C(=CC2=C1)C=CC=C3NC(=O)NCCCl
InChI
InChI=1S/C17H15ClN2O/c18-8-9-19-17(21)20-16-7-3-6-14-10-12-4-1-2-5-13(12)11-15(14)16/h1-7,10-11H,8-9H2,(H2,19,20,21)
InChIKey
CKZJPSNXOGOVIV-UHFFFAOYSA-N
Compound name
1-anthracen-1-yl-3-(2-chloroethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.08728 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09456 166.3
[M+Na]+ 321.07650 181.9
[M+NH4]+ 316.12110 176.2
[M+K]+ 337.05044 171.9
[M-H]- 297.08000 171.7
[M+Na-2H]- 319.06195 174.9
[M]+ 298.08673 170.5
[M]- 298.08783 170.5
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.