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]+ 334.201276 180.2
[M+Na]+ 356.183218 187.8
[M-H]- 332.186724 183.1
[M+NH4]+ 351.227823 194.2
[M+K]+ 372.157158 185.0
[M+H-H2O]+ 316.191260 171.7
[M+HCOO]- 378.192201 199.7
[M+CH3COO]- 392.207851 214.3
[M+Na-2H]- 354.168666 182.3
[M]+ 333.19345142 188.8
[M]- 333.19454858 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.