CID 204851

A 1314

Structural Information

Molecular Formula
C26H38N2O2
SMILES
CCCCN(CCCC)CC(=O)NC1=C(C=C(C=C1C)OCCC2=CC=CC=C2)C
InChI
InChI=1S/C26H38N2O2/c1-5-7-15-28(16-8-6-2)20-25(29)27-26-21(3)18-24(19-22(26)4)30-17-14-23-12-10-9-11-13-23/h9-13,18-19H,5-8,14-17,20H2,1-4H3,(H,27,29)
InChIKey
LTXUOQMJEVWERX-UHFFFAOYSA-N
Compound name
2-(dibutylamino)-N-[2,6-dimethyl-4-(2-phenylethoxy)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.29333 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.30061 208.5
[M+Na]+ 433.28255 210.8
[M-H]- 409.28605 214.9
[M+NH4]+ 428.32715 219.1
[M+K]+ 449.25649 206.7
[M+H-H2O]+ 393.29059 198.0
[M+HCOO]- 455.29153 230.8
[M+CH3COO]- 469.30718 237.9
[M+Na-2H]- 431.26800 206.6
[M]+ 410.29278 214.1
[M]- 410.29388 214.1
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.