CID 492586

5-[6,6-dimethylhepta-2,4-diynyl(methyl)amino]-3-imino-1,4-dihydroquinolin-2-one

Structural Information

Molecular Formula
C19H21N3O
SMILES
CC(C)(C)C#CC#CCN(C)C1=CC=CC2=C1CC(=N)C(=O)N2
InChI
InChI=1S/C19H21N3O/c1-19(2,3)11-6-5-7-12-22(4)17-10-8-9-16-14(17)13-15(20)18(23)21-16/h8-10,20H,12-13H2,1-4H3,(H,21,23)
InChIKey
OBRIPRWRESKFSU-UHFFFAOYSA-N
Compound name
5-[6,6-dimethylhepta-2,4-diynyl(methyl)amino]-3-imino-1,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.16846 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.17574 187.1
[M+Na]+ 330.15768 195.4
[M-H]- 306.16118 187.5
[M+NH4]+ 325.20228 195.9
[M+K]+ 346.13162 187.9
[M+H-H2O]+ 290.16572 171.8
[M+HCOO]- 352.16666 192.0
[M+CH3COO]- 366.18231 227.8
[M+Na-2H]- 328.14313 185.3
[M]+ 307.16791 175.8
[M]- 307.16901 175.8
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.