CID 209288

T 1141

Structural Information

Molecular Formula
C18H25N3O2
SMILES
CCCCOC1=C2C(=C(C=C1)NC(=O)CNC(C)C)C=CC=N2
InChI
InChI=1S/C18H25N3O2/c1-4-5-11-23-16-9-8-15(14-7-6-10-19-18(14)16)21-17(22)12-20-13(2)3/h6-10,13,20H,4-5,11-12H2,1-3H3,(H,21,22)
InChIKey
SKLVKKOQXLULQQ-UHFFFAOYSA-N
Compound name
N-(8-butoxyquinolin-5-yl)-2-(propan-2-ylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.19467 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.20195 177.1
[M+Na]+ 338.18389 181.7
[M-H]- 314.18739 179.5
[M+NH4]+ 333.22849 190.8
[M+K]+ 354.15783 178.3
[M+H-H2O]+ 298.19193 168.3
[M+HCOO]- 360.19287 197.9
[M+CH3COO]- 374.20852 215.0
[M+Na-2H]- 336.16934 180.9
[M]+ 315.19412 179.6
[M]- 315.19522 179.6
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.