CID 49946

67624-93-5

Structural Information

Molecular Formula
C13H17Cl2N3O
SMILES
CN1CCN(CC1)CC(=O)NC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C13H17Cl2N3O/c1-17-5-7-18(8-6-17)9-12(19)16-13-10(14)3-2-4-11(13)15/h2-4H,5-9H2,1H3,(H,16,19)
InChIKey
DZDVRVONBUQDMR-UHFFFAOYSA-N
Compound name
N-(2,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.07486 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.08214 167.1
[M+Na]+ 324.06408 174.0
[M-H]- 300.06758 169.6
[M+NH4]+ 319.10868 180.5
[M+K]+ 340.03802 168.1
[M+H-H2O]+ 284.07212 159.2
[M+HCOO]- 346.07306 175.5
[M+CH3COO]- 360.08871 203.2
[M+Na-2H]- 322.04953 168.5
[M]+ 301.07431 166.2
[M]- 301.07541 166.2
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.