CID 2170880

64544-21-4

Structural Information

Molecular Formula

C₁₃H₁₆Cl₂N₂O₂

SMILES

C1COCCN1CCNC(=O)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H16Cl2N2O2/c14-10-1-2-11(12(15)9-10)13(18)16-3-4-17-5-7-19-8-6-17/h1-2,9H,3-8H2,(H,16,18)

InChIKey

PBGVHXIIHGHAOD-UHFFFAOYSA-N

Compound name

2,4-dichloro-N-(2-morpholin-4-ylethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 302.05887 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	303.066146	167.3
[M+Na]+	325.048088	173.4
[M-H]-	301.051594	171.6
[M+NH4]+	320.092693	180.5
[M+K]+	341.022028	169.0
[M+H-H2O]+	285.056130	160.1
[M+HCOO]-	347.057071	176.4
[M+CH3COO]-	361.072721	201.5
[M+Na-2H]-	323.033536	170.1
[M]+	302.05832142	167.7
[M]-	302.05941858	167.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe