CID 492580

Chembl35671

Structural Information

Molecular Formula
C17H18N2O
SMILES
CCC#CC#CCN(C)C1=CC=CC2=C1CCC(=O)N2
InChI
InChI=1S/C17H18N2O/c1-3-4-5-6-7-13-19(2)16-10-8-9-15-14(16)11-12-17(20)18-15/h8-10H,3,11-13H2,1-2H3,(H,18,20)
InChIKey
QKLQLNRQVUXLDG-UHFFFAOYSA-N
Compound name
5-[hepta-2,4-diynyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

266.1419 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.149176 170.9
[M+Na]+ 289.131118 179.9
[M-H]- 265.134624 171.3
[M+NH4]+ 284.175723 181.0
[M+K]+ 305.105058 171.8
[M+H-H2O]+ 249.139160 155.5
[M+HCOO]- 311.140101 176.8
[M+CH3COO]- 325.155751 220.2
[M+Na-2H]- 287.116566 170.4
[M]+ 266.14135142 160.5
[M]- 266.14244858 160.5
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

No patent data available for this compound.