CID 55596

Brn 4506728

Structural Information

Molecular Formula
C20H34N2O3
SMILES
CC(C)NCCCOC1=CC(=C(C=C1)C(=O)C)OCCCNC(C)C
InChI
InChI=1S/C20H34N2O3/c1-15(2)21-10-6-12-24-18-8-9-19(17(5)23)20(14-18)25-13-7-11-22-16(3)4/h8-9,14-16,21-22H,6-7,10-13H2,1-5H3
InChIKey
OOUJAQZUDQOXBS-UHFFFAOYSA-N
Compound name
1-[2,4-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 191.1
[M+Na]+ 373.24618 193.1
[M-H]- 349.24968 193.3
[M+NH4]+ 368.29078 203.6
[M+K]+ 389.22012 191.2
[M+H-H2O]+ 333.25422 182.6
[M+HCOO]- 395.25516 211.8
[M+CH3COO]- 409.27081 224.5
[M+Na-2H]- 371.23163 188.9
[M]+ 350.25641 195.9
[M]- 350.25751 195.9
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.