CID 20111736

2-(4-chlorophenyl)-4-(dimethylamino)-2-[2-(dimethylamino)ethyl]butanenitrile dihydrochloride

Structural Information

Molecular Formula
C16H24ClN3
SMILES
CN(C)CCC(CCN(C)C)(C#N)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C16H24ClN3/c1-19(2)11-9-16(13-18,10-12-20(3)4)14-5-7-15(17)8-6-14/h5-8H,9-12H2,1-4H3
InChIKey
WHQXETBOFLTSJG-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-4-(dimethylamino)-2-[2-(dimethylamino)ethyl]butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.16586 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.17314 175.1
[M+Na]+ 316.15508 182.4
[M-H]- 292.15858 179.8
[M+NH4]+ 311.19968 190.4
[M+K]+ 332.12902 178.8
[M+H-H2O]+ 276.16312 161.8
[M+HCOO]- 338.16406 190.8
[M+CH3COO]- 352.17971 224.2
[M+Na-2H]- 314.14053 177.2
[M]+ 293.16531 174.6
[M]- 293.16641 174.6
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.