CID 42492

57645-31-5

Structural Information

Molecular Formula
C22H25Cl2N3O3
SMILES
COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)Cl)NC(=O)CCl
InChI
InChI=1S/C22H25Cl2N3O3/c1-30-20-12-19(26-21(28)13-23)18(24)11-17(20)22(29)25-16-7-9-27(10-8-16)14-15-5-3-2-4-6-15/h2-6,11-12,16H,7-10,13-14H2,1H3,(H,25,29)(H,26,28)
InChIKey
XWUIQWNFJUCJBF-UHFFFAOYSA-N
Compound name
N-(1-benzylpiperidin-4-yl)-5-chloro-4-[(2-chloroacetyl)amino]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.1273 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.134576 204.8
[M+Na]+ 472.116518 208.9
[M-H]- 448.120024 211.2
[M+NH4]+ 467.161123 212.7
[M+K]+ 488.090458 202.5
[M+H-H2O]+ 432.124560 195.4
[M+HCOO]- 494.125501 213.6
[M+CH3COO]- 508.141151 232.8
[M+Na-2H]- 470.101966 203.1
[M]+ 449.12675142 206.0
[M]- 449.12784858 206.0
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.