CID 54392

Benzanilide, n-(1-((2-(dimethylamino)ethyl)carbamoyl)ethyl)-4'-ethoxy-, salicylate

Structural Information

Molecular Formula
C22H29N3O3
SMILES
CCOC1=CC=C(C=C1)N(CCC(=O)NCCN(C)C)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C22H29N3O3/c1-4-28-20-12-10-19(11-13-20)25(22(27)18-8-6-5-7-9-18)16-14-21(26)23-15-17-24(2)3/h5-13H,4,14-17H2,1-3H3,(H,23,26)
InChIKey
FTDYUCITIXFMJT-UHFFFAOYSA-N
Compound name
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(4-ethoxyphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.2209 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.22818 196.6
[M+Na]+ 406.21012 197.9
[M-H]- 382.21362 204.5
[M+NH4]+ 401.25472 207.7
[M+K]+ 422.18406 196.9
[M+H-H2O]+ 366.21816 186.0
[M+HCOO]- 428.21910 221.2
[M+CH3COO]- 442.23475 233.6
[M+Na-2H]- 404.19557 197.0
[M]+ 383.22035 200.5
[M]- 383.22145 200.5
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

No patent data available for this compound.