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]+ 338.159806 178.0
[M+Na]+ 360.141748 182.2
[M-H]- 336.145254 181.2
[M+NH4]+ 355.186353 191.1
[M+K]+ 376.115688 182.9
[M+H-H2O]+ 320.149790 170.6
[M+HCOO]- 382.150731 197.9
[M+CH3COO]- 396.166381 215.1
[M+Na-2H]- 358.127196 175.2
[M]+ 337.15198142 184.0
[M]- 337.15307858 184.0
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.