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 170.0
[M+Na]+ 365.02599 180.0
[M-H]- 341.02949 177.5
[M+NH4]+ 360.07059 188.4
[M+K]+ 380.99993 167.0
[M+H-H2O]+ 325.03403 167.9
[M+HCOO]- 387.03497 191.4
[M+CH3COO]- 401.05062 182.8
[M+Na-2H]- 363.01144 179.6
[M]+ 342.03622 189.1
[M]- 342.03732 189.1
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.