CID 3105

Dipivefrin

Structural Information

Molecular Formula
C19H29NO5
SMILES
CC(C)(C)C(=O)OC1=C(C=C(C=C1)C(CNC)O)OC(=O)C(C)(C)C
InChI
InChI=1S/C19H29NO5/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6/h8-10,13,20-21H,11H2,1-7H3
InChIKey
OCUJLLGVOUDECM-UHFFFAOYSA-N
Compound name
[2-(2,2-dimethylpropanoyloxy)-4-[1-hydroxy-2-(methylamino)ethyl]phenyl] 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

192
References

8008
Patents

351.20456 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.21184 184.1
[M+Na]+ 374.19378 191.0
[M+NH4]+ 369.23838 187.5
[M+K]+ 390.16772 189.3
[M-H]- 350.19728 182.0
[M+Na-2H]- 372.17923 185.4
[M]+ 351.20401 184.1
[M]- 351.20511 184.1
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