CID 47003343

2-(3,4-dichlorophenyl)-2-{[2-(dimethylamino)ethyl]amino}acetonitrile

Structural Information

Molecular Formula
C12H15Cl2N3
SMILES
CN(C)CCNC(C#N)C1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C12H15Cl2N3/c1-17(2)6-5-16-12(8-15)9-3-4-10(13)11(14)7-9/h3-4,7,12,16H,5-6H2,1-2H3
InChIKey
QWWVOZVNKLOSJU-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0643 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.07158 158.4
[M+Na]+ 294.05352 170.1
[M+NH4]+ 289.09812 163.5
[M+K]+ 310.02746 159.9
[M-H]- 270.05702 154.6
[M+Na-2H]- 292.03897 162.2
[M]+ 271.06375 158.7
[M]- 271.06485 158.7
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.