CID 365592

1h-pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-((dimethylamino)acetyl)-1-(3-pyridinyl)-

Structural Information

Molecular Formula
C20H22N4O
SMILES
CN(C)CC(=O)N1CCC2=C(C1C3=CN=CC=C3)NC4=CC=CC=C24
InChI
InChI=1S/C20H22N4O/c1-23(2)13-18(25)24-11-9-16-15-7-3-4-8-17(15)22-19(16)20(24)14-6-5-10-21-12-14/h3-8,10,12,20,22H,9,11,13H2,1-2H3
InChIKey
OQEJZBLFDQHTFB-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1-(1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.17935 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.186626 180.3
[M+Na]+ 357.168568 187.2
[M-H]- 333.172074 184.7
[M+NH4]+ 352.213173 193.1
[M+K]+ 373.142508 181.3
[M+H-H2O]+ 317.176610 169.9
[M+HCOO]- 379.177551 196.8
[M+CH3COO]- 393.193201 189.6
[M+Na-2H]- 355.154016 183.5
[M]+ 334.17880142 179.7
[M]- 334.17989858 179.7
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

No patent data available for this compound.