CID 6700

Anthrimide

Structural Information

Molecular Formula
C28H15NO4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O
InChI
InChI=1S/C28H15NO4/c30-25-15-7-1-3-9-17(15)27(32)23-19(25)11-5-13-21(23)29-22-14-6-12-20-24(22)28(33)18-10-4-2-8-16(18)26(20)31/h1-14,29H
InChIKey
WITKIIIPSSFHST-UHFFFAOYSA-N
Compound name
1-[(9,10-dioxoanthracen-1-yl)amino]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

303
Patents

429.1001 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.10738 199.5
[M+Na]+ 452.08932 208.7
[M-H]- 428.09282 209.4
[M+NH4]+ 447.13392 211.9
[M+K]+ 468.06326 201.4
[M+H-H2O]+ 412.09736 187.4
[M+HCOO]- 474.09830 215.9
[M+CH3COO]- 488.11395 208.6
[M+Na-2H]- 450.07477 204.7
[M]+ 429.09955 199.6
[M]- 429.10065 199.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe