CID 156651

Benzamide, 3-((2-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-oxoethyl)amino)-, monohydrochloride

Structural Information

Molecular Formula
C19H23N3O4
SMILES
COC1=C(C=C(C=C1)CCNC(=O)CNC2=CC=CC(=C2)C(=O)N)OC
InChI
InChI=1S/C19H23N3O4/c1-25-16-7-6-13(10-17(16)26-2)8-9-21-18(23)12-22-15-5-3-4-14(11-15)19(20)24/h3-7,10-11,22H,8-9,12H2,1-2H3,(H2,20,24)(H,21,23)
InChIKey
KZOFCELNVLSKGC-UHFFFAOYSA-N
Compound name
3-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

357.16885 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.17613 184.8
[M+Na]+ 380.15807 188.8
[M-H]- 356.16157 190.7
[M+NH4]+ 375.20267 196.0
[M+K]+ 396.13201 186.1
[M+H-H2O]+ 340.16611 175.2
[M+HCOO]- 402.16705 209.0
[M+CH3COO]- 416.18270 223.3
[M+Na-2H]- 378.14352 186.0
[M]+ 357.16830 186.5
[M]- 357.16940 186.5
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