CID 23668

Ketocainol hydrochloride

Structural Information

Molecular Formula
C18H31NO2
SMILES
CCCC(C1=CC=CC=C1OCCN(C(C)C)C(C)C)O
InChI
InChI=1S/C18H31NO2/c1-6-9-17(20)16-10-7-8-11-18(16)21-13-12-19(14(2)3)15(4)5/h7-8,10-11,14-15,17,20H,6,9,12-13H2,1-5H3
InChIKey
DBQHPYODCJJUAP-UHFFFAOYSA-N
Compound name
1-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

293.23547 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.24275 175.2
[M+Na]+ 316.22469 184.1
[M+NH4]+ 311.26929 181.8
[M+K]+ 332.19863 178.8
[M-H]- 292.22819 176.7
[M+Na-2H]- 314.21014 178.7
[M]+ 293.23492 176.7
[M]- 293.23602 176.7
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

patents stripe