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]+ 316.201946 177.1
[M+Na]+ 338.183888 181.7
[M-H]- 314.187394 179.5
[M+NH4]+ 333.228493 190.8
[M+K]+ 354.157828 178.3
[M+H-H2O]+ 298.191930 168.3
[M+HCOO]- 360.192871 197.9
[M+CH3COO]- 374.208521 215.0
[M+Na-2H]- 336.169336 180.9
[M]+ 315.19412142 179.6
[M]- 315.19521858 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.