CID 54468

N-butyl-2-(7-chloro-4-quinolylamino)acetamide monohydrochloride

Structural Information

Molecular Formula
C15H18ClN3O
SMILES
CCCCNC(=O)CNC1=C2C=CC(=CC2=NC=C1)Cl
InChI
InChI=1S/C15H18ClN3O/c1-2-3-7-18-15(20)10-19-13-6-8-17-14-9-11(16)4-5-12(13)14/h4-6,8-9H,2-3,7,10H2,1H3,(H,17,19)(H,18,20)
InChIKey
UMCDURBGDTWETR-UHFFFAOYSA-N
Compound name
N-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.11383 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.12111 166.6
[M+Na]+ 314.10305 173.8
[M-H]- 290.10655 169.2
[M+NH4]+ 309.14765 182.3
[M+K]+ 330.07699 168.1
[M+H-H2O]+ 274.11109 159.2
[M+HCOO]- 336.11203 184.7
[M+CH3COO]- 350.12768 206.7
[M+Na-2H]- 312.08850 172.6
[M]+ 291.11328 169.5
[M]- 291.11438 169.5
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.