CID 115409

O-triacetylorciprenaline

Structural Information

Molecular Formula
C17H23NO6
SMILES
CC(C)NC(CC1=CC(=CC(=C1)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C17H23NO6/c1-10(2)18-17(24-13(5)21)8-14-6-15(22-11(3)19)9-16(7-14)23-12(4)20/h6-7,9-10,17-18H,8H2,1-5H3
InChIKey
VLAPOICCOPIXJJ-UHFFFAOYSA-N
Compound name
[3-acetyloxy-5-[2-acetyloxy-2-(propan-2-ylamino)ethyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.15253 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.15981 177.7
[M+Na]+ 360.14175 185.0
[M+NH4]+ 355.18635 181.1
[M+K]+ 376.11569 183.1
[M-H]- 336.14525 176.2
[M+Na-2H]- 358.12720 178.9
[M]+ 337.15198 177.7
[M]- 337.15308 177.7
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.