CID 26734

14549-32-7

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

291.21982 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.22710 175.9
[M+Na]+ 314.20904 178.0
[M-H]- 290.21254 179.5
[M+NH4]+ 309.25364 191.3
[M+K]+ 330.18298 177.7
[M+H-H2O]+ 274.21708 168.2
[M+HCOO]- 336.21802 195.6
[M+CH3COO]- 350.23367 213.3
[M+Na-2H]- 312.19449 173.8
[M]+ 291.21927 179.3
[M]- 291.22037 179.3
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