CID 6507140

15255-40-0

Structural Information

Molecular Formula
C36H20N2O4
SMILES
C1/C(=N/N=C/2\C3=CC=CC=C3C(=C4C(=O)C5=CC=CC=C5C4=O)C2)/C6=CC=CC=C6C1=C7C(=O)C8=CC=CC=C8C7=O
InChI
InChI=1S/C36H20N2O4/c39-33-23-13-5-6-14-24(23)34(40)31(33)27-17-29(21-11-3-1-9-19(21)27)37-38-30-18-28(20-10-2-4-12-22(20)30)32-35(41)25-15-7-8-16-26(25)36(32)42/h1-16H,17-18H2/b37-29-,38-30-
InChIKey
LCQKNYFBYJSFIM-LXWJVXQLSA-N
Compound name
2-[(3Z)-3-[(Z)-[3-(1,3-dioxoinden-2-ylidene)inden-1-ylidene]hydrazinylidene]inden-1-ylidene]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

544.14233 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.14961 229.9
[M+Na]+ 567.13155 242.9
[M+NH4]+ 562.17615 237.8
[M+K]+ 583.10549 240.2
[M-H]- 543.13505 239.2
[M+Na-2H]- 565.11700 234.2
[M]+ 544.14178 234.3
[M]- 544.14288 234.3
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.