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]+ 294.02364 155.3
[M+Na]+ 316.00558 164.7
[M-H]- 292.00908 160.6
[M+NH4]+ 311.05018 173.3
[M+K]+ 331.97952 152.6
[M+H-H2O]+ 276.01362 153.1
[M+HCOO]- 338.01456 176.2
[M+CH3COO]- 352.03021 201.3
[M+Na-2H]- 313.99103 164.8
[M]+ 293.01581 172.9
[M]- 293.01691 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.