CID 65692

Xipranolol

Structural Information

Molecular Formula
C23H33NO2
SMILES
CC1=C(C(=CC=C1)C)C(C2=C(C=CC=C2C)C)OCC(CNC(C)C)O
InChI
InChI=1S/C23H33NO2/c1-15(2)24-13-20(25)14-26-23(21-16(3)9-7-10-17(21)4)22-18(5)11-8-12-19(22)6/h7-12,15,20,23-25H,13-14H2,1-6H3
InChIKey
NCDUZGLNHCZFNZ-UHFFFAOYSA-N
Compound name
1-[bis(2,6-dimethylphenyl)methoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

355.25113 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.25841 191.5
[M+Na]+ 378.24035 195.5
[M-H]- 354.24385 196.4
[M+NH4]+ 373.28495 203.7
[M+K]+ 394.21429 191.7
[M+H-H2O]+ 338.24839 183.2
[M+HCOO]- 400.24933 209.6
[M+CH3COO]- 414.26498 222.8
[M+Na-2H]- 376.22580 188.1
[M]+ 355.25058 193.7
[M]- 355.25168 193.7
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.