CID 101213

Urea, 3-(2-bromoethyl)-1-(2-naphthyl)-

Structural Information

Molecular Formula
C13H13BrN2O
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)NCCBr
InChI
InChI=1S/C13H13BrN2O/c14-7-8-15-13(17)16-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2,(H2,15,16,17)
InChIKey
MWYZFKDSXGXFSA-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3-naphthalen-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.02112 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.02840 157.3
[M+Na]+ 315.01034 166.3
[M-H]- 291.01384 163.8
[M+NH4]+ 310.05494 176.6
[M+K]+ 330.98428 154.1
[M+H-H2O]+ 275.01838 155.7
[M+HCOO]- 337.01932 179.1
[M+CH3COO]- 351.03497 201.6
[M+Na-2H]- 312.99579 165.9
[M]+ 292.02057 174.7
[M]- 292.02167 174.7
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.