CID 391209

Nsc690042

Structural Information

Molecular Formula
C16H10N2O2
SMILES
COC1=CC(=O)C2=NC3=CC=CC=C3C4=C2C1=NC=C4
InChI
InChI=1S/C16H10N2O2/c1-20-13-8-12(19)15-14-10(6-7-17-16(13)14)9-4-2-3-5-11(9)18-15/h2-8H,1H3
InChIKey
FQZGXGCWOGPRLT-UHFFFAOYSA-N
Compound name
12-methoxy-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

1
References

0
Patents

262.07422 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08150 157.6
[M+Na]+ 285.06344 169.6
[M-H]- 261.06694 161.4
[M+NH4]+ 280.10804 175.1
[M+K]+ 301.03738 164.0
[M+H-H2O]+ 245.07148 148.2
[M+HCOO]- 307.07242 176.8
[M+CH3COO]- 321.08807 170.2
[M+Na-2H]- 283.04889 168.7
[M]+ 262.07367 162.4
[M]- 262.07477 162.4
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.