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]+ 292.121106 166.6
[M+Na]+ 314.103048 173.8
[M-H]- 290.106554 169.2
[M+NH4]+ 309.147653 182.3
[M+K]+ 330.076988 168.1
[M+H-H2O]+ 274.111090 159.2
[M+HCOO]- 336.112031 184.7
[M+CH3COO]- 350.127681 206.7
[M+Na-2H]- 312.088496 172.6
[M]+ 291.11328142 169.5
[M]- 291.11437858 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.