CID 3066258

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

Structural Information

Molecular Formula
C16H21N3
SMILES
CCCN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)N
InChI
InChI=1S/C16H21N3/c1-2-7-19-8-5-12(6-9-19)15-11-18-16-4-3-13(17)10-14(15)16/h3-5,10-11,18H,2,6-9,17H2,1H3
InChIKey
XPPRLWGWCMVQNN-UHFFFAOYSA-N
Compound name
3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

255.17355 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.180826 160.4
[M+Na]+ 278.162768 168.1
[M-H]- 254.166274 163.6
[M+NH4]+ 273.207373 176.6
[M+K]+ 294.136708 161.6
[M+H-H2O]+ 238.170810 151.9
[M+HCOO]- 300.171751 179.6
[M+CH3COO]- 314.187401 171.3
[M+Na-2H]- 276.148216 163.7
[M]+ 255.17300142 157.1
[M]- 255.17409858 157.1
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