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 164.9
[M+Na]+ 321.07650 173.7
[M-H]- 297.08000 170.2
[M+NH4]+ 316.12110 182.7
[M+K]+ 337.05044 167.0
[M+H-H2O]+ 281.08454 158.2
[M+HCOO]- 343.08548 184.8
[M+CH3COO]- 357.10113 176.7
[M+Na-2H]- 319.06195 174.0
[M]+ 298.08673 168.3
[M]- 298.08783 168.3
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

No patent data available for this compound.