CID 3061868

79931-39-8

Structural Information

Molecular Formula
C18H23ClN2
SMILES
CCCCCN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)Cl
InChI
InChI=1S/C18H23ClN2/c1-2-3-4-9-21-10-7-14(8-11-21)17-13-20-18-6-5-15(19)12-16(17)18/h5-7,12-13,20H,2-4,8-11H2,1H3
InChIKey
IJOPYHXCXXMAHJ-UHFFFAOYSA-N
Compound name
5-chloro-3-(1-pentyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.15497 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.16225 173.4
[M+Na]+ 325.14419 181.7
[M-H]- 301.14769 176.3
[M+NH4]+ 320.18879 189.0
[M+K]+ 341.11813 173.5
[M+H-H2O]+ 285.15223 164.8
[M+HCOO]- 347.15317 186.6
[M+CH3COO]- 361.16882 183.5
[M+Na-2H]- 323.12964 175.1
[M]+ 302.15442 174.3
[M]- 302.15552 174.3
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.