CID 5744396

Urea, 1-(3-bromoallyl)-3-(1,2,3,4-tetrahydro-1-naphthyl)-

Structural Information

Molecular Formula
C14H17BrN2O
SMILES
C1CC(C2=CC=CC=C2C1)NC(=O)NC/C=C/Br
InChI
InChI=1S/C14H17BrN2O/c15-9-4-10-16-14(18)17-13-8-3-6-11-5-1-2-7-12(11)13/h1-2,4-5,7,9,13H,3,6,8,10H2,(H2,16,17,18)/b9-4+
InChIKey
AZOOAXBXLUHOCJ-RUDMXATFSA-N
Compound name
1-[(E)-3-bromoprop-2-enyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.05243 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.05971 162.8
[M+Na]+ 331.04165 163.7
[M+NH4]+ 326.08625 167.3
[M+K]+ 347.01559 162.6
[M-H]- 307.04515 164.3
[M+Na-2H]- 329.02710 164.7
[M]+ 308.05188 161.9
[M]- 308.05298 161.9
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.