CID 5276275

Schembl9739489

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CN1C2=CC=CC=C2C(=O)C=C1OCCN(C)C
InChI
InChI=1S/C14H18N2O2/c1-15(2)8-9-18-14-10-13(17)11-6-4-5-7-12(11)16(14)3/h4-7,10H,8-9H2,1-3H3
InChIKey
YIGYKMVZDDRQMZ-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy]-1-methylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

246.13683 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 154.8
[M+Na]+ 269.12605 163.7
[M-H]- 245.12955 159.7
[M+NH4]+ 264.17065 172.8
[M+K]+ 285.09999 161.5
[M+H-H2O]+ 229.13409 147.0
[M+HCOO]- 291.13503 178.4
[M+CH3COO]- 305.15068 201.5
[M+Na-2H]- 267.11150 161.2
[M]+ 246.13628 159.6
[M]- 246.13738 159.6
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

patents stripe