CID 71707

Procinolol hydrochloride

Structural Information

Molecular Formula
C15H23NO2
SMILES
CC(C)NCC(COC1=CC=CC=C1C2CC2)O
InChI
InChI=1S/C15H23NO2/c1-11(2)16-9-13(17)10-18-15-6-4-3-5-14(15)12-7-8-12/h3-6,11-13,16-17H,7-10H2,1-2H3
InChIKey
RTAGQMIEWAAKMO-UHFFFAOYSA-N
Compound name
1-(2-cyclopropylphenoxy)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

149
Patents

249.17288 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.18016 154.6
[M+Na]+ 272.16210 160.5
[M-H]- 248.16560 160.2
[M+NH4]+ 267.20670 166.2
[M+K]+ 288.13604 157.1
[M+H-H2O]+ 232.17014 147.5
[M+HCOO]- 294.17108 175.9
[M+CH3COO]- 308.18673 199.6
[M+Na-2H]- 270.14755 157.4
[M]+ 249.17233 157.4
[M]- 249.17343 157.4
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