CID 3038958

Brn 0554724

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]+ 270.17131 159.4
[M+Na]+ 292.15325 166.0
[M-H]- 268.15675 159.5
[M+NH4]+ 287.19785 175.1
[M+K]+ 308.12719 159.3
[M+H-H2O]+ 252.16129 150.7
[M+HCOO]- 314.16223 173.0
[M+CH3COO]- 328.17788 168.5
[M+Na-2H]- 290.13870 164.4
[M]+ 269.16348 151.7
[M]- 269.16458 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.