CID 208568

32421-48-0

Structural Information

Molecular Formula
C16H21N3O
SMILES
CCN(CC)CCNC(=O)C1=NC2=CC=CC=C2C=C1
InChI
InChI=1S/C16H21N3O/c1-3-19(4-2)12-11-17-16(20)15-10-9-13-7-5-6-8-14(13)18-15/h5-10H,3-4,11-12H2,1-2H3,(H,17,20)
InChIKey
LNVXBKJDZSJYQZ-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]quinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

271.16846 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.17574 164.8
[M+Na]+ 294.15768 169.9
[M-H]- 270.16118 168.6
[M+NH4]+ 289.20228 180.7
[M+K]+ 310.13162 167.1
[M+H-H2O]+ 254.16572 156.0
[M+HCOO]- 316.16666 187.6
[M+CH3COO]- 330.18231 208.2
[M+Na-2H]- 292.14313 170.8
[M]+ 271.16791 166.7
[M]- 271.16901 166.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe