CID 51705

72808-82-3

Structural Information

Molecular Formula
C15H17ClN2
SMILES
CCN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)Cl
InChI
InChI=1S/C15H17ClN2/c1-2-18-7-5-11(6-8-18)14-10-17-15-4-3-12(16)9-13(14)15/h3-5,9-10,17H,2,6-8H2,1H3
InChIKey
ZFQHMTCRNHYMQG-UHFFFAOYSA-N
Compound name
5-chloro-3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.10803 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11531 158.6
[M+Na]+ 283.09725 174.5
[M+NH4]+ 278.14185 168.4
[M+K]+ 299.07119 166.9
[M-H]- 259.10075 162.8
[M+Na-2H]- 281.08270 166.6
[M]+ 260.10748 162.5
[M]- 260.10858 162.5
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