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]+ 450.13458 204.8
[M+Na]+ 472.11652 208.9
[M-H]- 448.12002 211.2
[M+NH4]+ 467.16112 212.7
[M+K]+ 488.09046 202.5
[M+H-H2O]+ 432.12456 195.4
[M+HCOO]- 494.12550 213.6
[M+CH3COO]- 508.14115 232.8
[M+Na-2H]- 470.10197 203.1
[M]+ 449.12675 206.0
[M]- 449.12785 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.