CID 293394

102434-36-6

Structural Information

Molecular Formula
C13H17BrN2O
SMILES
C1CCC2=C(C1)C=CC(=C2)NC(=O)NCCBr
InChI
InChI=1S/C13H17BrN2O/c14-7-8-15-13(17)16-12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9H,1-4,7-8H2,(H2,15,16,17)
InChIKey
FBYXVCHXMFKRNS-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.05243 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.05971 160.5
[M+Na]+ 319.04165 167.6
[M-H]- 295.04515 166.2
[M+NH4]+ 314.08625 179.5
[M+K]+ 335.01559 155.7
[M+H-H2O]+ 279.04969 158.8
[M+HCOO]- 341.05063 179.4
[M+CH3COO]- 355.06628 202.3
[M+Na-2H]- 317.02710 167.1
[M]+ 296.05188 175.1
[M]- 296.05298 175.1
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.