CID 55597

Brn 4506717

Structural Information

Molecular Formula
C20H34N2O3
SMILES
CC(C)NCCCOC1=CC(=C(C=C1)OCCCNC(C)C)C(=O)C
InChI
InChI=1S/C20H34N2O3/c1-15(2)21-10-6-12-24-18-8-9-20(19(14-18)17(5)23)25-13-7-11-22-16(3)4/h8-9,14-16,21-22H,6-7,10-13H2,1-5H3
InChIKey
YXAAMHDSODPMRY-UHFFFAOYSA-N
Compound name
1-[2,5-bis[3-(propan-2-ylamino)propoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.25696 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.26424 190.1
[M+Na]+ 373.24618 197.4
[M+NH4]+ 368.29078 194.9
[M+K]+ 389.22012 191.9
[M-H]- 349.24968 191.1
[M+Na-2H]- 371.23163 192.2
[M]+ 350.25641 191.0
[M]- 350.25751 191.0
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.