CID 688563

Procaterol

Structural Information

Molecular Formula
C16H22N2O3
SMILES
CC[C@H]([C@H](C1=C2C=CC(=O)NC2=C(C=C1)O)O)NC(C)C
InChI
InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)/t12-,16+/m1/s1
InChIKey
FKNXQNWAXFXVNW-WBMJQRKESA-N
Compound name
8-hydroxy-5-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

381
References

16541
Patents

290.16306 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17034 168.4
[M+Na]+ 313.15228 173.9
[M-H]- 289.15578 167.5
[M+NH4]+ 308.19688 181.4
[M+K]+ 329.12622 169.8
[M+H-H2O]+ 273.16032 161.5
[M+HCOO]- 335.16126 183.4
[M+CH3COO]- 349.17691 202.1
[M+Na-2H]- 311.13773 169.5
[M]+ 290.16251 166.8
[M]- 290.16361 166.8
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.