CID 45007

63886-93-1

Structural Information

Molecular Formula
C16H25NO4
SMILES
CC(C)N(C(C)C)C(=O)C1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C16H25NO4/c1-10(2)17(11(3)4)16(18)12-8-13(19-5)15(21-7)14(9-12)20-6/h8-11H,1-7H3
InChIKey
OETBURNRZVFMMY-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N,N-di(propan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.17834 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.185616 169.6
[M+Na]+ 318.167558 175.5
[M-H]- 294.171064 174.7
[M+NH4]+ 313.212163 185.8
[M+K]+ 334.141498 176.6
[M+H-H2O]+ 278.175600 162.6
[M+HCOO]- 340.176541 191.5
[M+CH3COO]- 354.192191 213.6
[M+Na-2H]- 316.153006 168.1
[M]+ 295.17779142 176.9
[M]- 295.17888858 176.9
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.