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

18
Patents

357.16885 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.176126 184.8
[M+Na]+ 380.158068 188.8
[M-H]- 356.161574 190.7
[M+NH4]+ 375.202673 196.0
[M+K]+ 396.132008 186.1
[M+H-H2O]+ 340.166110 175.2
[M+HCOO]- 402.167051 209.0
[M+CH3COO]- 416.182701 223.3
[M+Na-2H]- 378.143516 186.0
[M]+ 357.16830142 186.5
[M]- 357.16939858 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