CID 3039763

Brn 1487906

Structural Information

Molecular Formula
C17H23ClN2
SMILES
CCC(=CN1CCCC1=NC2=C(C=C(C=C2)Cl)C)CC
InChI
InChI=1S/C17H23ClN2/c1-4-14(5-2)12-20-10-6-7-17(20)19-16-9-8-15(18)11-13(16)3/h8-9,11-12H,4-7,10H2,1-3H3
InChIKey
TYILANVJSHDFHJ-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-methylphenyl)-1-(2-ethylbut-1-enyl)pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.15497 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.16225 173.0
[M+Na]+ 313.14419 179.8
[M-H]- 289.14769 178.9
[M+NH4]+ 308.18879 190.6
[M+K]+ 329.11813 173.7
[M+H-H2O]+ 273.15223 165.2
[M+HCOO]- 335.15317 190.2
[M+CH3COO]- 349.16882 206.6
[M+Na-2H]- 311.12964 171.7
[M]+ 290.15442 173.7
[M]- 290.15552 173.7
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.