CID 9571212

79514-41-3

Structural Information

Molecular Formula
C17H19N6Se
SMILES
C/C(=N\N=C(\N1CCN(CC1)C2=CC=CC=N2)/[Se])/C3=CC=CC=N3
InChI
InChI=1S/C17H19N6Se/c1-14(15-6-2-4-8-18-15)20-21-17(24)23-12-10-22(11-13-23)16-7-3-5-9-19-16/h2-9H,10-13H2,1H3/b20-14+,21-17-
InChIKey
XHOWLJGNFHYYAE-RRIKXJNJSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.08365 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.09093 190.3
[M+Na]+ 410.07287 193.1
[M-H]- 386.07637 195.2
[M+NH4]+ 405.11747 197.8
[M+K]+ 426.04681 188.0
[M+H-H2O]+ 370.08091 176.1
[M+HCOO]- 432.08185 207.5
[M+CH3COO]- 446.09750 197.4
[M+Na-2H]- 408.05832 193.9
[M]+ 387.08310 185.5
[M]- 387.08420 185.5
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.