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]+ 307.201616 176.5
[M+Na]+ 329.183558 179.8
[M-H]- 305.187064 182.1
[M+NH4]+ 324.228163 191.9
[M+K]+ 345.157498 180.8
[M+H-H2O]+ 289.191600 168.4
[M+HCOO]- 351.192541 199.5
[M+CH3COO]- 365.208191 219.0
[M+Na-2H]- 327.169006 175.2
[M]+ 306.19379142 181.6
[M]- 306.19488858 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.