CID 3055738

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

270.17322 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.18050 164.8
[M+Na]+ 293.16244 172.7
[M-H]- 269.16594 168.3
[M+NH4]+ 288.20704 180.8
[M+K]+ 309.13638 167.0
[M+H-H2O]+ 253.17048 156.1
[M+HCOO]- 315.17142 183.3
[M+CH3COO]- 329.18707 175.8
[M+Na-2H]- 291.14789 167.8
[M]+ 270.17267 164.7
[M]- 270.17377 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

literature stripe

Patent stripe

patents stripe