CID 42763

Ethanimidamide, 2-(3,4-dichlorophenyl)-n,n'-diethyl-, hydrochloride

Structural Information

Molecular Formula
C12H16Cl2N2
SMILES
CCNC(=NCC)CC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C12H16Cl2N2/c1-3-15-12(16-4-2)8-9-5-6-10(13)11(14)7-9/h5-7H,3-4,8H2,1-2H3,(H,15,16)
InChIKey
ZHDPSMHSXOOZDE-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-N,N'-diethylethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

258.06906 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07634 159.3
[M+Na]+ 281.05828 167.3
[M-H]- 257.06178 163.4
[M+NH4]+ 276.10288 178.1
[M+K]+ 297.03222 161.8
[M+H-H2O]+ 241.06632 154.2
[M+HCOO]- 303.06726 175.8
[M+CH3COO]- 317.08291 201.8
[M+Na-2H]- 279.04373 162.7
[M]+ 258.06851 163.0
[M]- 258.06961 163.0
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

patents stripe