CID 10944751

Nsc706992

Structural Information

Molecular Formula
C15H9N3O
SMILES
C1=CC=C2C(=C1)C3=C4C(=NC=C3)C(=CC(=O)C4=N2)N
InChI
InChI=1S/C15H9N3O/c16-10-7-12(19)15-13-9(5-6-17-14(10)13)8-3-1-2-4-11(8)18-15/h1-7H,16H2
InChIKey
PIBOVIRTUIQUCT-UHFFFAOYSA-N
Compound name
12-amino-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.07455 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.08183 153.5
[M+Na]+ 270.06377 165.4
[M-H]- 246.06727 157.0
[M+NH4]+ 265.10837 171.2
[M+K]+ 286.03771 159.0
[M+H-H2O]+ 230.07181 144.6
[M+HCOO]- 292.07275 173.4
[M+CH3COO]- 306.08840 166.0
[M+Na-2H]- 268.04922 164.9
[M]+ 247.07400 155.2
[M]- 247.07510 155.2
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.