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
7
Annotation Hits

192
References

13151
Patents

351.20456 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.211836 183.9
[M+Na]+ 374.193778 188.0
[M-H]- 350.197284 185.9
[M+NH4]+ 369.238383 196.4
[M+K]+ 390.167718 187.5
[M+H-H2O]+ 334.201820 177.8
[M+HCOO]- 396.202761 200.1
[M+CH3COO]- 410.218411 215.6
[M+Na-2H]- 372.179226 184.3
[M]+ 351.20401142 188.2
[M]- 351.20510858 188.2
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