CID 3061872

1h-indole, 3-(1-allyl-1,2,3,6-tetrahydro-4-pyridinyl)-5-chloro-, monohydrochloride

Structural Information

Molecular Formula
C16H17ClN2
SMILES
C=CCN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)Cl
InChI
InChI=1S/C16H17ClN2/c1-2-7-19-8-5-12(6-9-19)15-11-18-16-4-3-13(17)10-14(15)16/h2-5,10-11,18H,1,6-9H2
InChIKey
YONLFJJYHUMPTP-UHFFFAOYSA-N
Compound name
5-chloro-3-(1-prop-2-enyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.10803 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11531 163.5
[M+Na]+ 295.09725 173.1
[M-H]- 271.10075 166.8
[M+NH4]+ 290.14185 180.3
[M+K]+ 311.07119 164.7
[M+H-H2O]+ 255.10529 155.4
[M+HCOO]- 317.10623 177.6
[M+CH3COO]- 331.12188 174.6
[M+Na-2H]- 293.08270 166.3
[M]+ 272.10748 163.0
[M]- 272.10858 163.0
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.