CID 121431

1243-14-7

Structural Information

Molecular Formula
C19H32N2O4
SMILES
CCN(CC)CCCC(C)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C19H32N2O4/c1-7-21(8-2)11-9-10-14(3)20-19(22)15-12-16(23-4)18(25-6)17(13-15)24-5/h12-14H,7-11H2,1-6H3,(H,20,22)
InChIKey
ISAXYRXEJSEHRF-UHFFFAOYSA-N
Compound name
N-[5-(diethylamino)pentan-2-yl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

352.2362 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.243476 188.9
[M+Na]+ 375.225418 192.6
[M-H]- 351.228924 193.1
[M+NH4]+ 370.270023 202.3
[M+K]+ 391.199358 192.5
[M+H-H2O]+ 335.233460 180.4
[M+HCOO]- 397.234401 211.6
[M+CH3COO]- 411.250051 226.6
[M+Na-2H]- 373.210866 187.1
[M]+ 352.23565142 197.0
[M]- 352.23674858 197.0
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