CID 236862

5-amino-6h-anthra(9,1-cd)(1,2)selenazol-6-one

Structural Information

Molecular Formula
C14H8N2OSe
SMILES
C1=CC=C2C(=C1)C3=N[Se]C4=C3C(=C(C=C4)N)C2=O
InChI
InChI=1S/C14H8N2OSe/c15-9-5-6-10-12-11(9)14(17)8-4-2-1-3-7(8)13(12)16-18-10/h1-6H,15H2
InChIKey
LRDQANSCRBWGJK-UHFFFAOYSA-N
Compound name
10-amino-14-selena-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.9802 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.98748 160.2
[M+Na]+ 322.96942 171.6
[M-H]- 298.97292 164.9
[M+NH4]+ 318.01402 181.2
[M+K]+ 338.94336 165.3
[M+H-H2O]+ 282.97746 152.6
[M+HCOO]- 344.97840 181.8
[M+CH3COO]- 358.99405 173.0
[M+Na-2H]- 320.95487 167.5
[M]+ 299.97965 162.3
[M]- 299.98075 162.3
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.