CID 56559

Gb-328

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CCCCOC1=CC=C(C=C1)N(CC(=O)N(C)C)C(=O)C
InChI
InChI=1S/C16H24N2O3/c1-5-6-11-21-15-9-7-14(8-10-15)18(13(2)19)12-16(20)17(3)4/h7-10H,5-6,11-12H2,1-4H3
InChIKey
GWDQQPTZSLYDOU-UHFFFAOYSA-N
Compound name
2-(N-acetyl-4-butoxyanilino)-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

292.17868 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.185956 172.0
[M+Na]+ 315.167898 175.9
[M-H]- 291.171404 177.7
[M+NH4]+ 310.212503 188.0
[M+K]+ 331.141838 176.5
[M+H-H2O]+ 275.175940 163.8
[M+HCOO]- 337.176881 196.3
[M+CH3COO]- 351.192531 215.1
[M+Na-2H]- 313.153346 172.4
[M]+ 292.17813142 177.3
[M]- 292.17922858 177.3
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