CID 30303

Isobutyrophenone, 6'-(2-(diisopropylamino)ethoxy)-, hydrochloride

Structural Information

Molecular Formula
C18H29NO2
SMILES
CC(C)C(=O)C1=CC=CC=C1OCCN(C(C)C)C(C)C
InChI
InChI=1S/C18H29NO2/c1-13(2)18(20)16-9-7-8-10-17(16)21-12-11-19(14(3)4)15(5)6/h7-10,13-15H,11-12H2,1-6H3
InChIKey
RHUTXVLDZLWFCQ-UHFFFAOYSA-N
Compound name
1-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.21982 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.227096 174.7
[M+Na]+ 314.209038 177.8
[M-H]- 290.212544 178.7
[M+NH4]+ 309.253643 190.4
[M+K]+ 330.182978 177.5
[M+H-H2O]+ 274.217080 167.3
[M+HCOO]- 336.218021 194.5
[M+CH3COO]- 350.233671 214.5
[M+Na-2H]- 312.194486 172.0
[M]+ 291.21927142 178.5
[M]- 291.22036858 178.5
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.