CID 365592

Nsc633393

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]+ 335.18663 180.3
[M+Na]+ 357.16857 187.2
[M-H]- 333.17207 184.7
[M+NH4]+ 352.21317 193.1
[M+K]+ 373.14251 181.3
[M+H-H2O]+ 317.17661 169.9
[M+HCOO]- 379.17755 196.8
[M+CH3COO]- 393.19320 189.6
[M+Na-2H]- 355.15402 183.5
[M]+ 334.17880 179.7
[M]- 334.17990 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.