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 159.7
[M+Na]+ 283.09725 169.4
[M-H]- 259.10075 163.1
[M+NH4]+ 278.14185 177.0
[M+K]+ 299.07119 161.9
[M+H-H2O]+ 243.10529 151.7
[M+HCOO]- 305.10623 173.9
[M+CH3COO]- 319.12188 171.2
[M+Na-2H]- 281.08270 163.0
[M]+ 260.10748 159.5
[M]- 260.10858 159.5
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