CID 3041046

53371-79-2

Structural Information

Molecular Formula
C16H22N2O3
SMILES
CC(C)(C)NCC(COC1=CC=CC2=C1C=CC(=O)N2)O
InChI
InChI=1S/C16H22N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-8,11,17,19H,9-10H2,1-3H3,(H,18,20)
InChIKey
ZTCHDVYUVIVZFA-UHFFFAOYSA-N
Compound name
5-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

290.16306 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17034 168.7
[M+Na]+ 313.15228 174.8
[M-H]- 289.15578 169.0
[M+NH4]+ 308.19688 182.5
[M+K]+ 329.12622 170.8
[M+H-H2O]+ 273.16032 161.7
[M+HCOO]- 335.16126 185.7
[M+CH3COO]- 349.17691 200.9
[M+Na-2H]- 311.13773 174.3
[M]+ 290.16251 169.2
[M]- 290.16361 169.2
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