CID 2583

Carteolol

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CC(C)(C)NCC(COC1=CC=CC2=C1CCC(=O)N2)O
InChI
InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)
InChIKey
LWAFSWPYPHEXKX-UHFFFAOYSA-N
Compound name
5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

451
References

28259
Patents

292.17868 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.185956 170.4
[M+Na]+ 315.167898 174.4
[M-H]- 291.171404 169.8
[M+NH4]+ 310.212503 183.9
[M+K]+ 331.141838 170.8
[M+H-H2O]+ 275.175940 163.5
[M+HCOO]- 337.176881 184.4
[M+CH3COO]- 351.192531 201.5
[M+Na-2H]- 313.153346 174.1
[M]+ 292.17813142 168.0
[M]- 292.17922858 168.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe