CID 3038958

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

Structural Information

Molecular Formula
C15H19N5
SMILES
C1CN2CC3=C(CC2CN1C(=N)N)C4=CC=CC=C4N3
InChI
InChI=1S/C15H19N5/c16-15(17)20-6-5-19-9-14-12(7-10(19)8-20)11-3-1-2-4-13(11)18-14/h1-4,10,18H,5-9H2,(H3,16,17)
InChIKey
HFKRIRGEQNBVBC-UHFFFAOYSA-N
Compound name
3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-6-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.16403 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.171306 159.4
[M+Na]+ 292.153248 166.0
[M-H]- 268.156754 159.5
[M+NH4]+ 287.197853 175.1
[M+K]+ 308.127188 159.3
[M+H-H2O]+ 252.161290 150.7
[M+HCOO]- 314.162231 173.0
[M+CH3COO]- 328.177881 168.5
[M+Na-2H]- 290.138696 164.4
[M]+ 269.16348142 151.7
[M]- 269.16457858 151.7
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.