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

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

No literature data available for this compound.

Patent stripe

patents stripe