CID 54395

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

Structural Information

Molecular Formula
C21H26ClN3O3
SMILES
CN(C)CCNC(=O)CCN(C1=CC(=CC=C1)Cl)C(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C21H26ClN3O3/c1-24(2)14-12-23-20(26)11-13-25(18-6-4-5-17(22)15-18)21(27)16-7-9-19(28-3)10-8-16/h4-10,15H,11-14H2,1-3H3,(H,23,26)
InChIKey
LAPNZRKNDCSQCL-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.16626 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.17354 199.0
[M+Na]+ 426.15548 202.6
[M-H]- 402.15898 207.4
[M+NH4]+ 421.20008 210.7
[M+K]+ 442.12942 200.0
[M+H-H2O]+ 386.16352 189.7
[M+HCOO]- 448.16446 219.5
[M+CH3COO]- 462.18011 235.4
[M+Na-2H]- 424.14093 198.7
[M]+ 403.16571 205.6
[M]- 403.16681 205.6
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.