CID 59585

C 6260

Structural Information

Molecular Formula
C18H30N2O2
SMILES
CCC(C)NCC(=O)N(C)C(C)COC1=C(C=C(C=C1)C)C
InChI
InChI=1S/C18H30N2O2/c1-7-15(4)19-11-18(21)20(6)16(5)12-22-17-9-8-13(2)10-14(17)3/h8-10,15-16,19H,7,11-12H2,1-6H3
InChIKey
XIFMXNGFQJOPDC-UHFFFAOYSA-N
Compound name
2-(butan-2-ylamino)-N-[1-(2,4-dimethylphenoxy)propan-2-yl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.23074 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.238016 179.4
[M+Na]+ 329.219958 182.7
[M-H]- 305.223464 183.6
[M+NH4]+ 324.264563 194.5
[M+K]+ 345.193898 182.1
[M+H-H2O]+ 289.228000 171.5
[M+HCOO]- 351.228941 201.1
[M+CH3COO]- 365.244591 219.2
[M+Na-2H]- 327.205406 177.4
[M]+ 306.23019142 183.2
[M]- 306.23128858 183.2
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.