CID 5274973

3-(dimethoxymethyl)-1-hexyl-4-methoxy-quinolin-2-one

Structural Information

Molecular Formula
C19H27NO4
SMILES
CCCCCCN1C2=CC=CC=C2C(=C(C1=O)C(OC)OC)OC
InChI
InChI=1S/C19H27NO4/c1-5-6-7-10-13-20-15-12-9-8-11-14(15)17(22-2)16(18(20)21)19(23-3)24-4/h8-9,11-12,19H,5-7,10,13H2,1-4H3
InChIKey
HBCRTPJHHQHKHL-UHFFFAOYSA-N
Compound name
3-(dimethoxymethyl)-1-hexyl-4-methoxyquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.194 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.20128 180.2
[M+Na]+ 356.18322 187.8
[M-H]- 332.18672 183.1
[M+NH4]+ 351.22782 194.2
[M+K]+ 372.15716 185.0
[M+H-H2O]+ 316.19126 171.7
[M+HCOO]- 378.19220 199.7
[M+CH3COO]- 392.20785 214.3
[M+Na-2H]- 354.16867 182.3
[M]+ 333.19345 188.8
[M]- 333.19455 188.8
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.