CID 3038960

Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-benzylcarbonyl-, dl-

Structural Information

Molecular Formula
C22H23N3O
SMILES
C1CN2CC3=C(CC2CN1C(=O)CC4=CC=CC=C4)C5=CC=CC=C5N3
InChI
InChI=1S/C22H23N3O/c26-22(12-16-6-2-1-3-7-16)25-11-10-24-15-21-19(13-17(24)14-25)18-8-4-5-9-20(18)23-21/h1-9,17,23H,10-15H2
InChIKey
RJBZQFXXTMPSIM-UHFFFAOYSA-N
Compound name
2-phenyl-1-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.1841 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.19138 184.9
[M+Na]+ 368.17332 199.4
[M+NH4]+ 363.21792 193.7
[M+K]+ 384.14726 192.0
[M-H]- 344.17682 189.0
[M+Na-2H]- 366.15877 190.3
[M]+ 345.18355 188.1
[M]- 345.18465 188.1
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

No patent data available for this compound.