CID 54399

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

Structural Information

Molecular Formula
C24H32ClN3O3
SMILES
CCN(CC)CCNC(=O)C(C)N(C1=CC=C(C=C1)OCC)C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C24H32ClN3O3/c1-5-27(6-2)17-16-26-23(29)18(4)28(19-12-14-20(15-13-19)31-7-3)24(30)21-10-8-9-11-22(21)25/h8-15,18H,5-7,16-17H2,1-4H3,(H,26,29)
InChIKey
VSTTWGNUPMLUOA-UHFFFAOYSA-N
Compound name
2-chloro-N-[1-[2-(diethylamino)ethylamino]-1-oxopropan-2-yl]-N-(4-ethoxyphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.21323 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.22051 212.4
[M+Na]+ 468.20245 214.4
[M-H]- 444.20595 220.4
[M+NH4]+ 463.24705 222.3
[M+K]+ 484.17639 211.8
[M+H-H2O]+ 428.21049 202.8
[M+HCOO]- 490.21143 231.0
[M+CH3COO]- 504.22708 244.9
[M+Na-2H]- 466.18790 209.5
[M]+ 445.21268 219.5
[M]- 445.21378 219.5
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.