CID 365603

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

Structural Information

Molecular Formula
C21H24N4O
SMILES
CN(C)CCC(=O)N1CCC2=C(C1C3=CN=CC=C3)NC4=CC=CC=C24
InChI
InChI=1S/C21H24N4O/c1-24(2)12-10-19(26)25-13-9-17-16-7-3-4-8-18(16)23-20(17)21(25)15-6-5-11-22-14-15/h3-8,11,14,21,23H,9-10,12-13H2,1-2H3
InChIKey
YZJNMSAVSZFSRX-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1-(1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.195 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.202276 184.8
[M+Na]+ 371.184218 191.2
[M-H]- 347.187724 189.0
[M+NH4]+ 366.228823 197.0
[M+K]+ 387.158158 185.1
[M+H-H2O]+ 331.192260 174.1
[M+HCOO]- 393.193201 200.9
[M+CH3COO]- 407.208851 193.7
[M+Na-2H]- 369.169666 187.4
[M]+ 348.19445142 184.5
[M]- 348.19554858 184.5
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.