CID 297443

Urea, 1-(2-bromoallyl)-3-(5,6,7,8-tetrahydro-1-naphthyl)-

Structural Information

Molecular Formula
C14H17BrN2O
SMILES
C=C(CNC(=O)NC1=CC=CC2=C1CCCC2)Br
InChI
InChI=1S/C14H17BrN2O/c1-10(15)9-16-14(18)17-13-8-4-6-11-5-2-3-7-12(11)13/h4,6,8H,1-3,5,7,9H2,(H2,16,17,18)
InChIKey
ACBCOSJZURZXCY-UHFFFAOYSA-N
Compound name
1-(2-bromoprop-2-enyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.05243 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.05971 161.4
[M+Na]+ 331.04165 161.9
[M+NH4]+ 326.08625 165.8
[M+K]+ 347.01559 161.6
[M-H]- 307.04515 162.7
[M+Na-2H]- 329.02710 163.1
[M]+ 308.05188 160.4
[M]- 308.05298 160.4
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.