CID 10616

Ambucetamide

Structural Information

Molecular Formula
C17H28N2O2
SMILES
CCCCN(CCCC)C(C1=CC=C(C=C1)OC)C(=O)N
InChI
InChI=1S/C17H28N2O2/c1-4-6-12-19(13-7-5-2)16(17(18)20)14-8-10-15(21-3)11-9-14/h8-11,16H,4-7,12-13H2,1-3H3,(H2,18,20)
InChIKey
WUSAVCGXMSWMQM-UHFFFAOYSA-N
Compound name
2-(dibutylamino)-2-(4-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

986
Patents

292.2151 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.22238 175.4
[M+Na]+ 315.20432 178.3
[M-H]- 291.20782 178.7
[M+NH4]+ 310.24892 190.4
[M+K]+ 331.17826 176.9
[M+H-H2O]+ 275.21236 167.2
[M+HCOO]- 337.21330 197.7
[M+CH3COO]- 351.22895 214.1
[M+Na-2H]- 313.18977 174.7
[M]+ 292.21455 178.1
[M]- 292.21565 178.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe