CID 5748624

38157-01-6

Structural Information

Molecular Formula
C34H20N2O2
SMILES
C1=CC2=C(C=CC3=C2C(=C1)C(=O)C4=C3C=CC(=C4)N)C5=C6C=CC=C7C6=C(C=C5)C8=C(C7=O)C=C(C=C8)N
InChI
InChI=1S/C34H20N2O2/c35-17-7-9-21-25-13-11-19(23-3-1-5-27(31(23)25)33(37)29(21)15-17)20-12-14-26-22-10-8-18(36)16-30(22)34(38)28-6-2-4-24(20)32(26)28/h1-16H,35-36H2
InChIKey
LWDAHFWGDVZCEZ-UHFFFAOYSA-N
Compound name
9-amino-3-(9-amino-7-oxobenzo[a]phenalen-3-yl)benzo[b]phenalen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.15247 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.15975 222.1
[M+Na]+ 511.14169 243.3
[M+NH4]+ 506.18629 233.2
[M+K]+ 527.11563 229.4
[M-H]- 487.14519 232.5
[M+Na-2H]- 509.12714 228.6
[M]+ 488.15192 228.7
[M]- 488.15302 228.7
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.