CID 3078823

Benzamide, n-((4-(2-(dimethylamino)ethoxy)phenyl)methyl)-4-ethoxy-3-methoxy-

Structural Information

Molecular Formula
C21H28N2O4
SMILES
CCOC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)OCCN(C)C)OC
InChI
InChI=1S/C21H28N2O4/c1-5-26-19-11-8-17(14-20(19)25-4)21(24)22-15-16-6-9-18(10-7-16)27-13-12-23(2)3/h6-11,14H,5,12-13,15H2,1-4H3,(H,22,24)
InChIKey
MQEASFQEICWNLZ-UHFFFAOYSA-N
Compound name
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-ethoxy-3-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

372.2049 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.21218 191.5
[M+Na]+ 395.19412 195.7
[M-H]- 371.19762 199.0
[M+NH4]+ 390.23872 203.6
[M+K]+ 411.16806 194.2
[M+H-H2O]+ 355.20216 181.6
[M+HCOO]- 417.20310 215.9
[M+CH3COO]- 431.21875 227.4
[M+Na-2H]- 393.17957 192.6
[M]+ 372.20435 198.2
[M]- 372.20545 198.2
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