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 163.2
[M+Na]+ 294.05352 172.7
[M-H]- 270.05702 166.7
[M+NH4]+ 289.09812 179.3
[M+K]+ 310.02746 167.3
[M+H-H2O]+ 254.06156 151.7
[M+HCOO]- 316.06250 175.7
[M+CH3COO]- 330.07815 215.6
[M+Na-2H]- 292.03897 165.0
[M]+ 271.06375 161.7
[M]- 271.06485 161.7
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

patents stripe