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]+ 287.130976 167.5
[M+Na]+ 309.112918 178.2
[M-H]- 285.116424 175.1
[M+NH4]+ 304.157523 179.4
[M+K]+ 325.086858 170.6
[M+H-H2O]+ 269.120960 158.5
[M+HCOO]- 331.121901 183.1
[M+CH3COO]- 345.137551 178.5
[M+Na-2H]- 307.098366 170.1
[M]+ 286.12315142 170.4
[M]- 286.12424858 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.