CID 282503

Urea, 1-(2-bromoethyl)-3-(8-quinolyl)-

Structural Information

Molecular Formula
C12H12BrN3O
SMILES
C1=CC2=C(C(=C1)NC(=O)NCCBr)N=CC=C2
InChI
InChI=1S/C12H12BrN3O/c13-6-8-15-12(17)16-10-5-1-3-9-4-2-7-14-11(9)10/h1-5,7H,6,8H2,(H2,15,16,17)
InChIKey
RGDLBFDDNZYBPZ-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3-quinolin-8-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.01636 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.023636 155.3
[M+Na]+ 316.005578 164.7
[M-H]- 292.009084 160.6
[M+NH4]+ 311.050183 173.3
[M+K]+ 331.979518 152.6
[M+H-H2O]+ 276.013620 153.1
[M+HCOO]- 338.014561 176.2
[M+CH3COO]- 352.030211 201.3
[M+Na-2H]- 313.991026 164.8
[M]+ 293.01581142 172.9
[M]- 293.01690858 172.9
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.