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]+ 403.222756 198.6
[M+Na]+ 425.204698 203.0
[M-H]- 401.208204 206.2
[M+NH4]+ 420.249303 209.5
[M+K]+ 441.178638 202.1
[M+H-H2O]+ 385.212740 188.4
[M+HCOO]- 447.213681 222.8
[M+CH3COO]- 461.229331 233.7
[M+Na-2H]- 423.190146 198.5
[M]+ 402.21493142 207.4
[M]- 402.21602858 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.