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 177.1
[M+Na]+ 316.22469 179.6
[M-H]- 292.22819 179.6
[M+NH4]+ 311.26929 192.2
[M+K]+ 332.19863 178.6
[M+H-H2O]+ 276.23273 169.7
[M+HCOO]- 338.23367 196.1
[M+CH3COO]- 352.24932 211.9
[M+Na-2H]- 314.21014 175.0
[M]+ 293.23492 180.3
[M]- 293.23602 180.3
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