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 164.6
[M+Na]+ 331.04165 171.2
[M-H]- 307.04515 170.1
[M+NH4]+ 326.08625 182.9
[M+K]+ 347.01559 159.0
[M+H-H2O]+ 291.04969 162.9
[M+HCOO]- 353.05063 182.4
[M+CH3COO]- 367.06628 205.2
[M+Na-2H]- 329.02710 169.5
[M]+ 308.05188 178.3
[M]- 308.05298 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.