CID 51707

72808-85-6

Structural Information

Molecular Formula
C17H19ClN2
SMILES
C1CC1CN2CCC(=CC2)N3C=CC4=C3C=CC(=C4)Cl
InChI
InChI=1S/C17H19ClN2/c18-15-3-4-17-14(11-15)5-10-20(17)16-6-8-19(9-7-16)12-13-1-2-13/h3-6,10-11,13H,1-2,7-9,12H2
InChIKey
QNSVMKDCHKKHNY-UHFFFAOYSA-N
Compound name
5-chloro-1-[1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-4-yl]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1237 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13098 167.5
[M+Na]+ 309.11292 178.2
[M-H]- 285.11642 175.1
[M+NH4]+ 304.15752 179.4
[M+K]+ 325.08686 170.6
[M+H-H2O]+ 269.12096 158.5
[M+HCOO]- 331.12190 183.1
[M+CH3COO]- 345.13755 178.5
[M+Na-2H]- 307.09837 170.1
[M]+ 286.12315 170.4
[M]- 286.12425 170.4
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.