CID 217859

5h-pyrido(4,3-b)indole, 5,6,7,8-tetrahydro-5-(2-(diethylamino)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C17H25N3
SMILES
CCN(CC)CCN1C2=C(CCCC2)C3=C1C=CN=C3
InChI
InChI=1S/C17H25N3/c1-3-19(4-2)11-12-20-16-8-6-5-7-14(16)15-13-18-10-9-17(15)20/h9-10,13H,3-8,11-12H2,1-2H3
InChIKey
NORYYPWKCUKPBT-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(6,7,8,9-tetrahydropyrido[4,3-b]indol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.20483 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.21211 166.2
[M+Na]+ 294.19405 172.9
[M-H]- 270.19755 169.5
[M+NH4]+ 289.23865 184.2
[M+K]+ 310.16799 168.7
[M+H-H2O]+ 254.20209 157.1
[M+HCOO]- 316.20303 185.9
[M+CH3COO]- 330.21868 177.2
[M+Na-2H]- 292.17950 170.7
[M]+ 271.20428 168.0
[M]- 271.20538 168.0
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

No patent data available for this compound.