CID 274326

Urea, 1-(5-acenaphthenyl)-3-(2-chloroethyl)-

Structural Information

Molecular Formula
C15H15ClN2O
SMILES
C1CC2=CC=C(C3=CC=CC1=C23)NC(=O)NCCCl
InChI
InChI=1S/C15H15ClN2O/c16-8-9-17-15(19)18-13-7-6-11-5-4-10-2-1-3-12(13)14(10)11/h1-3,6-7H,4-5,8-9H2,(H2,17,18,19)
InChIKey
PRSFQUNLUKUNEF-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(1,2-dihydroacenaphthylen-5-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.08728 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09456 161.9
[M+Na]+ 297.07650 169.4
[M-H]- 273.08000 166.2
[M+NH4]+ 292.12110 182.6
[M+K]+ 313.05044 163.5
[M+H-H2O]+ 257.08454 156.1
[M+HCOO]- 319.08548 180.4
[M+CH3COO]- 333.10113 173.6
[M+Na-2H]- 295.06195 167.7
[M]+ 274.08673 164.2
[M]- 274.08783 164.2
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.