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 183.0
[M+Na]+ 368.17332 188.9
[M-H]- 344.17682 185.9
[M+NH4]+ 363.21792 195.4
[M+K]+ 384.14726 180.8
[M+H-H2O]+ 328.18136 171.9
[M+HCOO]- 390.18230 193.8
[M+CH3COO]- 404.19795 190.7
[M+Na-2H]- 366.15877 185.4
[M]+ 345.18355 178.0
[M]- 345.18465 178.0
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.