CID 57444

98795-90-5

Structural Information

Molecular Formula
C22H30N2O5
SMILES
CCN(CC)CCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C22H30N2O5/c1-6-24(7-2)12-13-29-18-10-8-17(9-11-18)23-22(25)16-14-19(26-3)21(28-5)20(15-16)27-4/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,23,25)
InChIKey
YRPSYIDQSOKGOZ-UHFFFAOYSA-N
Compound name
N-[4-[2-(diethylamino)ethoxy]phenyl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.21548 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.22276 198.9
[M+Na]+ 425.20470 209.5
[M+NH4]+ 420.24930 204.0
[M+K]+ 441.17864 203.4
[M-H]- 401.20820 202.7
[M+Na-2H]- 423.19015 204.4
[M]+ 402.21493 201.3
[M]- 402.21603 201.3
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.