CID 100628

1,4-acridinedione, 5-amino-3,6-dimethoxy-

Structural Information

Molecular Formula
C15H12N2O4
SMILES
COC1=C(C2=NC3=C(C=C2C=C1)C(=O)C=C(C3=O)OC)N
InChI
InChI=1S/C15H12N2O4/c1-20-10-4-3-7-5-8-9(18)6-11(21-2)15(19)14(8)17-13(7)12(10)16/h3-6H,16H2,1-2H3
InChIKey
YMQSAIPYFYWGMV-UHFFFAOYSA-N
Compound name
5-amino-3,6-dimethoxyacridine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.0797 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.086976 161.3
[M+Na]+ 307.068918 172.5
[M-H]- 283.072424 166.0
[M+NH4]+ 302.113523 178.0
[M+K]+ 323.042858 168.8
[M+H-H2O]+ 267.076960 153.5
[M+HCOO]- 329.077901 182.0
[M+CH3COO]- 343.093551 206.2
[M+Na-2H]- 305.054366 167.1
[M]+ 284.07915142 164.9
[M]- 284.08024858 164.9
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.