CID 79771

5690-24-4

Structural Information

Molecular Formula
C14H6N2O4
SMILES
C1=CC2=C3C(=CC=C4C3=C1C(=O)NC4=O)C(=O)NC2=O
InChI
InChI=1S/C14H6N2O4/c17-11-5-1-2-6-10-8(14(20)16-12(6)18)4-3-7(9(5)10)13(19)15-11/h1-4H,(H,15,17,19)(H,16,18,20)
InChIKey
BODUWJSFPLUDMP-UHFFFAOYSA-N
Compound name
6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

336
Patents

266.03275 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.04003 156.4
[M+Na]+ 289.02197 166.5
[M-H]- 265.02547 156.4
[M+NH4]+ 284.06657 172.4
[M+K]+ 304.99591 160.5
[M+H-H2O]+ 249.03001 148.7
[M+HCOO]- 311.03095 168.4
[M+CH3COO]- 325.04660 166.9
[M+Na-2H]- 287.00742 163.2
[M]+ 266.03220 155.0
[M]- 266.03330 155.0
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

patents stripe