CID 54397

Benzanilide, 3'-chloro-n-(2-((2-(diethylamino)ethyl)carbamoyl)ethyl)-4-methoxy-, salicylate

Structural Information

Molecular Formula
C23H30ClN3O3
SMILES
CCN(CC)CCNC(=O)CCN(C1=CC(=CC=C1)Cl)C(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C23H30ClN3O3/c1-4-26(5-2)16-14-25-22(28)13-15-27(20-8-6-7-19(24)17-20)23(29)18-9-11-21(30-3)12-10-18/h6-12,17H,4-5,13-16H2,1-3H3,(H,25,28)
InChIKey
KZCOZRQKQCGWSE-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-N-[3-[2-(diethylamino)ethylamino]-3-oxopropyl]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.19757 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.20485 208.1
[M+Na]+ 454.18679 210.8
[M-H]- 430.19029 216.1
[M+NH4]+ 449.23139 218.6
[M+K]+ 470.16073 207.7
[M+H-H2O]+ 414.19483 198.4
[M+HCOO]- 476.19577 227.9
[M+CH3COO]- 490.21142 241.2
[M+Na-2H]- 452.17224 206.8
[M]+ 431.19702 215.3
[M]- 431.19812 215.3
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.