CID 54441

76644-53-6

Structural Information

Molecular Formula
C23H32N2O4
SMILES
CCN(CC)CCN(C1=CC=CC=C1C)C(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C23H32N2O4/c1-7-24(8-2)13-14-25(19-12-10-9-11-17(19)3)23(26)18-15-20(27-4)22(29-6)21(16-18)28-5/h9-12,15-16H,7-8,13-14H2,1-6H3
InChIKey
IBQAYSZDRZOQBL-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-3,4,5-trimethoxy-N-(2-methylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.2362 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.24348 200.6
[M+Na]+ 423.22542 205.0
[M-H]- 399.22892 209.5
[M+NH4]+ 418.27002 212.4
[M+K]+ 439.19936 204.5
[M+H-H2O]+ 383.23346 190.4
[M+HCOO]- 445.23440 224.8
[M+CH3COO]- 459.25005 237.8
[M+Na-2H]- 421.21087 199.2
[M]+ 400.23565 209.7
[M]- 400.23675 209.7
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.