CID 282505

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

Structural Information

Molecular Formula
C17H15BrN2O
SMILES
C1=CC=C2C=C3C(=CC2=C1)C=CC=C3NC(=O)NCCBr
InChI
InChI=1S/C17H15BrN2O/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
WTUNKSHWZYZOPD-UHFFFAOYSA-N
Compound name
1-anthracen-1-yl-3-(2-bromoethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.03677 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.04405 167.8
[M+Na]+ 365.02599 172.5
[M+NH4]+ 360.07059 173.3
[M+K]+ 380.99993 169.9
[M-H]- 341.02949 171.0
[M+Na-2H]- 363.01144 172.5
[M]+ 342.03622 168.3
[M]- 342.03732 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.