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]+ 309.059706 164.6
[M+Na]+ 331.041648 171.2
[M-H]- 307.045154 170.1
[M+NH4]+ 326.086253 182.9
[M+K]+ 347.015588 159.0
[M+H-H2O]+ 291.049690 162.9
[M+HCOO]- 353.050631 182.4
[M+CH3COO]- 367.066281 205.2
[M+Na-2H]- 329.027096 169.5
[M]+ 308.05188142 178.3
[M]- 308.05297858 178.3
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.