CID 3066263

1h-indole, 5-chloro-1-methyl-3-(1-propyl-1,2,3,6-tetrahydro-4-pyridinyl)-, monohydrochloride

Structural Information

Molecular Formula
C17H21ClN2
SMILES
CCCN1CCC(=CC1)C2=CN(C3=C2C=C(C=C3)Cl)C
InChI
InChI=1S/C17H21ClN2/c1-3-8-20-9-6-13(7-10-20)16-12-19(2)17-5-4-14(18)11-15(16)17/h4-6,11-12H,3,7-10H2,1-2H3
InChIKey
QUHVTIXEODTMJI-UHFFFAOYSA-N
Compound name
5-chloro-1-methyl-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1393 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14658 169.1
[M+Na]+ 311.12852 179.2
[M-H]- 287.13202 173.9
[M+NH4]+ 306.17312 186.3
[M+K]+ 327.10246 172.1
[M+H-H2O]+ 271.13656 160.6
[M+HCOO]- 333.13750 184.1
[M+CH3COO]- 347.15315 180.6
[M+Na-2H]- 309.11397 170.9
[M]+ 288.13875 171.8
[M]- 288.13985 171.8
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