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]+ 275.094556 161.9
[M+Na]+ 297.076498 169.4
[M-H]- 273.080004 166.2
[M+NH4]+ 292.121103 182.6
[M+K]+ 313.050438 163.5
[M+H-H2O]+ 257.084540 156.1
[M+HCOO]- 319.085481 180.4
[M+CH3COO]- 333.101131 173.6
[M+Na-2H]- 295.061946 167.7
[M]+ 274.08673142 164.2
[M]- 274.08782858 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.