CID 394796

Nsc698598

Structural Information

Molecular Formula
C36H20N2O5
SMILES
C1=CC=C(C=C1)C2=C3C4C(C(=O)N(C4=O)C5=CC=CC=C5)C6(N3C7=C2C(=O)C8=CC=CC=C87)C(=O)C9=CC=CC=C9C6=O
InChI
InChI=1S/C36H20N2O5/c39-31-22-16-8-7-15-21(22)29-26(31)25(19-11-3-1-4-12-19)30-27-28(35(43)37(34(27)42)20-13-5-2-6-14-20)36(38(29)30)32(40)23-17-9-10-18-24(23)33(36)41/h1-18,27-28H
InChIKey
WEJWNZITXCLTGL-UHFFFAOYSA-N
Compound name
6,10-diphenylspiro[2,6-diazapentacyclo[9.7.0.02,9.04,8.013,18]octadeca-1(11),9,13,15,17-pentaene-3,2'-indene]-1',3',5,7,12-pentone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

560.1372 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.14448 228.9
[M+Na]+ 583.12642 239.8
[M-H]- 559.12992 246.5
[M+NH4]+ 578.17102 245.4
[M+K]+ 599.10036 232.2
[M+H-H2O]+ 543.13446 223.1
[M+HCOO]- 605.13540 244.4
[M+CH3COO]- 619.15105 238.0
[M+Na-2H]- 581.11187 218.0
[M]+ 560.13665 233.7
[M]- 560.13775 233.7
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.