CID 96684

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

Structural Information

Molecular Formula
C12H12ClN3O
SMILES
C1=CC2=C(C(=C1)NC(=O)NCCCl)N=CC=C2
InChI
InChI=1S/C12H12ClN3O/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
XKAAAQHQHINIGV-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-quinolin-8-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.0669 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.07418 152.9
[M+Na]+ 272.05612 166.0
[M+NH4]+ 267.10072 161.4
[M+K]+ 288.03006 158.2
[M-H]- 248.05962 156.1
[M+Na-2H]- 270.04157 160.3
[M]+ 249.06635 155.8
[M]- 249.06745 155.8
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.