CID 4631

Oxprenolol

Structural Information

Molecular Formula
C15H23NO3
SMILES
CC(C)NCC(COC1=CC=CC=C1OCC=C)O
InChI
InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3
InChIKey
CEMAWMOMDPGJMB-UHFFFAOYSA-N
Compound name
1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1136
References

21145
Patents

265.1678 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17508 164.7
[M+Na]+ 288.15702 168.7
[M-H]- 264.16052 166.1
[M+NH4]+ 283.20162 180.1
[M+K]+ 304.13096 166.4
[M+H-H2O]+ 248.16506 157.6
[M+HCOO]- 310.16600 185.6
[M+CH3COO]- 324.18165 199.8
[M+Na-2H]- 286.14247 166.2
[M]+ 265.16725 166.8
[M]- 265.16835 166.8
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