CID 204845

Brn 2785296

Structural Information

Molecular Formula
C25H36N2O2
SMILES
CCCCN(CCCC)CC(=O)NC1=C(C=C(C=C1C)OCC2=CC=CC=C2)C
InChI
InChI=1S/C25H36N2O2/c1-5-7-14-27(15-8-6-2)18-24(28)26-25-20(3)16-23(17-21(25)4)29-19-22-12-10-9-11-13-22/h9-13,16-17H,5-8,14-15,18-19H2,1-4H3,(H,26,28)
InChIKey
LLQPLLOXDIUJGH-UHFFFAOYSA-N
Compound name
2-(dibutylamino)-N-(2,6-dimethyl-4-phenylmethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

396.27768 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.28496 204.0
[M+Na]+ 419.26690 206.7
[M-H]- 395.27040 210.6
[M+NH4]+ 414.31150 215.2
[M+K]+ 435.24084 202.9
[M+H-H2O]+ 379.27494 193.8
[M+HCOO]- 441.27588 226.6
[M+CH3COO]- 455.29153 235.0
[M+Na-2H]- 417.25235 202.7
[M]+ 396.27713 209.3
[M]- 396.27823 209.3
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