CID 3039762

51170-85-5

Structural Information

Molecular Formula
C16H20Cl2N2
SMILES
CCC(=CN1CCCC1=NC2=C(C=C(C=C2)Cl)Cl)CC
InChI
InChI=1S/C16H20Cl2N2/c1-3-12(4-2)11-20-9-5-6-16(20)19-15-8-7-13(17)10-14(15)18/h7-8,10-11H,3-6,9H2,1-2H3
InChIKey
WACSFSYXYAOTHK-UHFFFAOYSA-N
Compound name
N-(2,4-dichlorophenyl)-1-(2-ethylbut-1-enyl)pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.10034 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.10762 176.4
[M+Na]+ 333.08956 183.9
[M-H]- 309.09306 181.5
[M+NH4]+ 328.13416 193.4
[M+K]+ 349.06350 176.7
[M+H-H2O]+ 293.09760 169.0
[M+HCOO]- 355.09854 188.6
[M+CH3COO]- 369.11419 207.9
[M+Na-2H]- 331.07501 174.6
[M]+ 310.09979 177.7
[M]- 310.10089 177.7
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.