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]+ 373.212176 191.5
[M+Na]+ 395.194118 195.7
[M-H]- 371.197624 199.0
[M+NH4]+ 390.238723 203.6
[M+K]+ 411.168058 194.2
[M+H-H2O]+ 355.202160 181.6
[M+HCOO]- 417.203101 215.9
[M+CH3COO]- 431.218751 227.4
[M+Na-2H]- 393.179566 192.6
[M]+ 372.20435142 198.2
[M]- 372.20544858 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