CID 118701

34560-30-0

Structural Information

Molecular Formula
C28H17N3O4
SMILES
C1=CC2=C(C(=C1)N)C(=O)C3=C(C2=O)C(=CC=C3)NC4=CC=CC5=C4C(=O)C6=C(C5=O)C(=CC=C6)N
InChI
InChI=1S/C28H17N3O4/c29-17-9-1-5-13-21(17)25(32)15-7-3-11-19(23(15)27(13)34)31-20-12-4-8-16-24(20)28(35)14-6-2-10-18(30)22(14)26(16)33/h1-12,31H,29-30H2
InChIKey
JFWRJKSJBUGSLG-UHFFFAOYSA-N
Compound name
1-amino-5-[(5-amino-9,10-dioxoanthracen-1-yl)amino]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.12192 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.12920 210.0
[M+Na]+ 482.11114 226.1
[M+NH4]+ 477.15574 217.8
[M+K]+ 498.08508 216.5
[M-H]- 458.11464 218.1
[M+Na-2H]- 480.09659 215.2
[M]+ 459.12137 214.6
[M]- 459.12247 214.6
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

No patent data available for this compound.