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

21
Patents

290.16306 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.170336 168.7
[M+Na]+ 313.152278 174.8
[M-H]- 289.155784 169.0
[M+NH4]+ 308.196883 182.5
[M+K]+ 329.126218 170.8
[M+H-H2O]+ 273.160320 161.7
[M+HCOO]- 335.161261 185.7
[M+CH3COO]- 349.176911 200.9
[M+Na-2H]- 311.137726 174.3
[M]+ 290.16251142 169.2
[M]- 290.16360858 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