CID 108698

Einecs 259-602-9

Structural Information

Molecular Formula
C38H26N2O4
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=CC=CC4=C3C(=O)C5=C(C4=O)C(=CC=C5)NC6=CC=C(C=C6)OC7=CC=CC=C7
InChI
InChI=1S/C38H26N2O4/c41-37-32-14-8-16-34(40-26-19-23-30(24-20-26)44-28-11-5-2-6-12-28)36(32)38(42)31-13-7-15-33(35(31)37)39-25-17-21-29(22-18-25)43-27-9-3-1-4-10-27/h1-24,39-40H
InChIKey
QFYZUUMEXXFCKY-UHFFFAOYSA-N
Compound name
1,5-bis(4-phenoxyanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

574.1893 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.19658 238.9
[M+Na]+ 597.17852 243.0
[M-H]- 573.18202 253.8
[M+NH4]+ 592.22312 241.0
[M+K]+ 613.15246 235.7
[M+H-H2O]+ 557.18656 222.3
[M+HCOO]- 619.18750 257.1
[M+CH3COO]- 633.20315 244.0
[M+Na-2H]- 595.16397 242.1
[M]+ 574.18875 237.6
[M]- 574.18985 237.6
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

patents stripe