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

2
Patents

352.2362 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.24348 188.9
[M+Na]+ 375.22542 192.6
[M-H]- 351.22892 193.1
[M+NH4]+ 370.27002 202.3
[M+K]+ 391.19936 192.5
[M+H-H2O]+ 335.23346 180.4
[M+HCOO]- 397.23440 211.6
[M+CH3COO]- 411.25005 226.6
[M+Na-2H]- 373.21087 187.1
[M]+ 352.23565 197.0
[M]- 352.23675 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