CID 208569

32421-54-8

Structural Information

Molecular Formula
C17H21N3O
SMILES
CCN(CCNC(=O)C1=NC2=CC=CC=C2C=C1)CC=C
InChI
InChI=1S/C17H21N3O/c1-3-12-20(4-2)13-11-18-17(21)16-10-9-14-7-5-6-8-15(14)19-16/h3,5-10H,1,4,11-13H2,2H3,(H,18,21)
InChIKey
UBTQDHFFOAYYBL-UHFFFAOYSA-N
Compound name
N-[2-[ethyl(prop-2-enyl)amino]ethyl]quinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.16846 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.17574 168.2
[M+Na]+ 306.15768 173.1
[M-H]- 282.16118 171.8
[M+NH4]+ 301.20228 183.5
[M+K]+ 322.13162 169.5
[M+H-H2O]+ 266.16572 159.3
[M+HCOO]- 328.16666 190.8
[M+CH3COO]- 342.18231 210.4
[M+Na-2H]- 304.14313 173.6
[M]+ 283.16791 169.7
[M]- 283.16901 169.7
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.