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

4
Patents

255.17355 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.18083 160.9
[M+Na]+ 278.16277 174.0
[M+NH4]+ 273.20737 169.5
[M+K]+ 294.13671 167.8
[M-H]- 254.16627 165.0
[M+Na-2H]- 276.14822 167.7
[M]+ 255.17300 163.8
[M]- 255.17410 163.8
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