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 160.4
[M+Na]+ 278.16277 168.1
[M-H]- 254.16627 163.6
[M+NH4]+ 273.20737 176.6
[M+K]+ 294.13671 161.6
[M+H-H2O]+ 238.17081 151.9
[M+HCOO]- 300.17175 179.6
[M+CH3COO]- 314.18740 171.3
[M+Na-2H]- 276.14822 163.7
[M]+ 255.17300 157.1
[M]- 255.17410 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