CID 459650

N,n-diisopropylquinoline-3-carboxamide

Structural Information

Molecular Formula
C16H20N2O
SMILES
CC(C)N(C(C)C)C(=O)C1=CC2=CC=CC=C2N=C1
InChI
InChI=1S/C16H20N2O/c1-11(2)18(12(3)4)16(19)14-9-13-7-5-6-8-15(13)17-10-14/h5-12H,1-4H3
InChIKey
IXAZVPSKIMWNRK-UHFFFAOYSA-N
Compound name
N,N-di(propan-2-yl)quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.15756 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 161.1
[M+Na]+ 279.14678 166.6
[M-H]- 255.15028 165.2
[M+NH4]+ 274.19138 177.9
[M+K]+ 295.12072 164.8
[M+H-H2O]+ 239.15482 153.2
[M+HCOO]- 301.15576 180.8
[M+CH3COO]- 315.17141 205.0
[M+Na-2H]- 277.13223 164.3
[M]+ 256.15701 162.5
[M]- 256.15811 162.5
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.