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 198.6
[M+Na]+ 425.20470 203.0
[M-H]- 401.20820 206.2
[M+NH4]+ 420.24930 209.5
[M+K]+ 441.17864 202.1
[M+H-H2O]+ 385.21274 188.4
[M+HCOO]- 447.21368 222.8
[M+CH3COO]- 461.22933 233.7
[M+Na-2H]- 423.19015 198.5
[M]+ 402.21493 207.4
[M]- 402.21603 207.4
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.