CID 3055742

1h-indole, 6-methoxy-3-(1,2,3,6-tetrahydro-1-propyl-4-pyridinyl)-, monohydrochloride

Structural Information

Molecular Formula
C17H22N2O
SMILES
CCCN1CCC(=CC1)C2=CNC3=C2C=CC(=C3)OC
InChI
InChI=1S/C17H22N2O/c1-3-8-19-9-6-13(7-10-19)16-12-18-17-11-14(20-2)4-5-15(16)17/h4-6,11-12,18H,3,7-10H2,1-2H3
InChIKey
FZSRRLIPWFXXQH-UHFFFAOYSA-N
Compound name
6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

270.17322 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.180496 164.8
[M+Na]+ 293.162438 172.7
[M-H]- 269.165944 168.3
[M+NH4]+ 288.207043 180.8
[M+K]+ 309.136378 167.0
[M+H-H2O]+ 253.170480 156.1
[M+HCOO]- 315.171421 183.3
[M+CH3COO]- 329.187071 175.8
[M+Na-2H]- 291.147886 167.8
[M]+ 270.17267142 164.7
[M]- 270.17376858 164.7
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