CID 3079213

Brn 1544977

Structural Information

Molecular Formula
C16H22N2O3
SMILES
CC(C)NCC(COC1=CC(=O)N(C2=CC=CC=C21)C)O
InChI
InChI=1S/C16H22N2O3/c1-11(2)17-9-12(19)10-21-15-8-16(20)18(3)14-7-5-4-6-13(14)15/h4-8,11-12,17,19H,9-10H2,1-3H3
InChIKey
RWVITFRQIMIQRM-UHFFFAOYSA-N
Compound name
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-methylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.16306 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17034 167.9
[M+Na]+ 313.15228 174.5
[M-H]- 289.15578 169.7
[M+NH4]+ 308.19688 182.4
[M+K]+ 329.12622 171.4
[M+H-H2O]+ 273.16032 160.2
[M+HCOO]- 335.16126 186.9
[M+CH3COO]- 349.17691 205.6
[M+Na-2H]- 311.13773 171.1
[M]+ 290.16251 170.5
[M]- 290.16361 170.5
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.