CID 5354981

Indanthrene brown ry

Structural Information

Molecular Formula
C42H25N3O6
SMILES
C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)NC4=CC=CC5=C4C(=O)C6=C(C5=O)C(=CC=C6)NC(=O)C7=CC=CC=C7)C(=O)C8=CC=CC=C8C3=O
InChI
InChI=1S/C42H25N3O6/c46-37-25-15-7-8-16-26(25)38(47)36-32(45-42(51)24-13-5-2-6-14-24)22-21-31(35(36)37)43-29-19-9-17-27-33(29)39(48)28-18-10-20-30(34(28)40(27)49)44-41(50)23-11-3-1-4-12-23/h1-22,43H,(H,44,50)(H,45,51)
InChIKey
HZCNWAWXJDZEHZ-UHFFFAOYSA-N
Compound name
N-[4-[(5-benzamido-9,10-dioxoanthracen-1-yl)amino]-9,10-dioxoanthracen-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

667.1743 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 668.18158 259.5
[M+Na]+ 690.16352 276.5
[M+NH4]+ 685.20812 265.2
[M+K]+ 706.13746 265.3
[M-H]- 666.16702 270.8
[M+Na-2H]- 688.14897 267.6
[M]+ 667.17375 265.2
[M]- 667.17485 265.2
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