CID 117118

71334-64-0

Structural Information

Molecular Formula
C36H38N2O4
SMILES
CCCCCOC1=CC=C(C=C1)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC5=CC=C(C=C5)OCCCCC
InChI
InChI=1S/C36H38N2O4/c1-3-5-7-23-41-27-19-15-25(16-20-27)37-31-13-9-11-29-33(31)35(39)30-12-10-14-32(34(30)36(29)40)38-26-17-21-28(22-18-26)42-24-8-6-4-2/h9-22,37-38H,3-8,23-24H2,1-2H3
InChIKey
LZAWOWSBLQZKOH-UHFFFAOYSA-N
Compound name
1,5-bis(4-pentoxyanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

562.28314 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.29042 246.8
[M+Na]+ 585.27236 262.0
[M+NH4]+ 580.31696 253.3
[M+K]+ 601.24630 249.6
[M-H]- 561.27586 255.5
[M+Na-2H]- 583.25781 254.0
[M]+ 562.28259 251.6
[M]- 562.28369 251.6
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