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]+ 291.170336 167.9
[M+Na]+ 313.152278 174.5
[M-H]- 289.155784 169.7
[M+NH4]+ 308.196883 182.4
[M+K]+ 329.126218 171.4
[M+H-H2O]+ 273.160320 160.2
[M+HCOO]- 335.161261 186.9
[M+CH3COO]- 349.176911 205.6
[M+Na-2H]- 311.137726 171.1
[M]+ 290.16251142 170.5
[M]- 290.16360858 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.