CID 49951

Brn 2747470

Structural Information

Molecular Formula
C12H17Cl2N3O
SMILES
CCN(CC)CC(=O)NC1=C(C=C(C=C1Cl)N)Cl
InChI
InChI=1S/C12H17Cl2N3O/c1-3-17(4-2)7-11(18)16-12-9(13)5-8(15)6-10(12)14/h5-6H,3-4,7,15H2,1-2H3,(H,16,18)
InChIKey
PRNMKCGHIAFUIS-UHFFFAOYSA-N
Compound name
N-(4-amino-2,6-dichlorophenyl)-2-(diethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.07486 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.08214 167.2
[M+Na]+ 312.06408 174.8
[M-H]- 288.06758 171.2
[M+NH4]+ 307.10868 184.2
[M+K]+ 328.03802 170.1
[M+H-H2O]+ 272.07212 162.1
[M+HCOO]- 334.07306 183.4
[M+CH3COO]- 348.08871 210.9
[M+Na-2H]- 310.04953 167.9
[M]+ 289.07431 170.6
[M]- 289.07541 170.6
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.