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

1
Patents

288.1393 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.146576 169.1
[M+Na]+ 311.128518 179.2
[M-H]- 287.132024 173.9
[M+NH4]+ 306.173123 186.3
[M+K]+ 327.102458 172.1
[M+H-H2O]+ 271.136560 160.6
[M+HCOO]- 333.137501 184.1
[M+CH3COO]- 347.153151 180.6
[M+Na-2H]- 309.113966 170.9
[M]+ 288.13875142 171.8
[M]- 288.13984858 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