CID 56708

Gb-330

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CC(C)CCOC1=CC=C(C=C1)N(CC(=O)N(C)C)C(=O)C
InChI
InChI=1S/C17H26N2O3/c1-13(2)10-11-22-16-8-6-15(7-9-16)19(14(3)20)12-17(21)18(4)5/h6-9,13H,10-12H2,1-5H3
InChIKey
MDZWVSKNPAQTTG-UHFFFAOYSA-N
Compound name
2-[N-acetyl-4-(3-methylbutoxy)anilino]-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.19434 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.20162 176.5
[M+Na]+ 329.18356 179.8
[M-H]- 305.18706 182.1
[M+NH4]+ 324.22816 191.9
[M+K]+ 345.15750 180.8
[M+H-H2O]+ 289.19160 168.4
[M+HCOO]- 351.19254 199.5
[M+CH3COO]- 365.20819 219.0
[M+Na-2H]- 327.16901 175.2
[M]+ 306.19379 181.6
[M]- 306.19489 181.6
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.