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]+ 296.18562 169.6
[M+Na]+ 318.16756 175.5
[M-H]- 294.17106 174.7
[M+NH4]+ 313.21216 185.8
[M+K]+ 334.14150 176.6
[M+H-H2O]+ 278.17560 162.6
[M+HCOO]- 340.17654 191.5
[M+CH3COO]- 354.19219 213.6
[M+Na-2H]- 316.15301 168.1
[M]+ 295.17779 176.9
[M]- 295.17889 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.