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]+ 291.112806 162.6
[M+Na]+ 313.094748 168.0
[M-H]- 289.098254 161.9
[M+NH4]+ 308.139353 178.4
[M+K]+ 329.068688 160.9
[M+H-H2O]+ 273.102790 152.3
[M+HCOO]- 335.103731 168.5
[M+CH3COO]- 349.119381 170.5
[M+Na-2H]- 311.080196 170.3
[M]+ 290.10498142 158.9
[M]- 290.10607858 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

literature stripe

Patent stripe

No patent data available for this compound.