CID 379883

Nsc665075

Structural Information

Molecular Formula
C18H14N2O2
SMILES
C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)NNC4=O
InChI
InChI=1S/C18H14N2O2/c21-17-15-13-9-5-1-2-6-10(9)14(16(15)18(22)20-19-17)12-8-4-3-7-11(12)13/h1-8,13-16H,(H,19,21)(H,20,22)
InChIKey
WCCPZQAFQNKUHF-UHFFFAOYSA-N
Compound name
4,5-diazapentacyclo[6.6.6.02,7.09,14.015,20]icosa-9,11,13,15,17,19-hexaene-3,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

290.10553 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11281 162.6
[M+Na]+ 313.09475 168.0
[M-H]- 289.09825 161.9
[M+NH4]+ 308.13935 178.4
[M+K]+ 329.06869 160.9
[M+H-H2O]+ 273.10279 152.3
[M+HCOO]- 335.10373 168.5
[M+CH3COO]- 349.11938 170.5
[M+Na-2H]- 311.08020 170.3
[M]+ 290.10498 158.9
[M]- 290.10608 158.9
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.