CID 3075429

180859-71-6

Structural Information

Molecular Formula
C17H14N4O2
SMILES
C1COCCN1C(=O)C2=CC(=NC3=CC=CC=C32)C(C#N)C#N
InChI
InChI=1S/C17H14N4O2/c18-10-12(11-19)16-9-14(13-3-1-2-4-15(13)20-16)17(22)21-5-7-23-8-6-21/h1-4,9,12H,5-8H2
InChIKey
WQBDGVKQUWTBFZ-UHFFFAOYSA-N
Compound name
2-[4-(morpholine-4-carbonyl)quinolin-2-yl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.11166 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.118936 173.0
[M+Na]+ 329.100878 181.3
[M-H]- 305.104384 174.5
[M+NH4]+ 324.145483 179.5
[M+K]+ 345.074818 174.6
[M+H-H2O]+ 289.108920 154.6
[M+HCOO]- 351.109861 178.6
[M+CH3COO]- 365.125511 177.5
[M+Na-2H]- 327.086326 173.6
[M]+ 306.11111142 162.5
[M]- 306.11220858 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.