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]+ 299.094556 164.9
[M+Na]+ 321.076498 173.7
[M-H]- 297.080004 170.2
[M+NH4]+ 316.121103 182.7
[M+K]+ 337.050438 167.0
[M+H-H2O]+ 281.084540 158.2
[M+HCOO]- 343.085481 184.8
[M+CH3COO]- 357.101131 176.7
[M+Na-2H]- 319.061946 174.0
[M]+ 298.08673142 168.3
[M]- 298.08782858 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.