CID 83633

13643-37-3

Structural Information

Molecular Formula
C15H12N2O4
SMILES
CNC1=C2C(=C(C=C1)O)C(=O)C3=C(C=CC(=C3C2=O)O)N
InChI
InChI=1S/C15H12N2O4/c1-17-7-3-5-9(19)13-11(7)15(21)12-8(18)4-2-6(16)10(12)14(13)20/h2-5,17-19H,16H2,1H3
InChIKey
NGNLGMGUWBMKHI-UHFFFAOYSA-N
Compound name
1-amino-4,8-dihydroxy-5-(methylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

10
Patents

284.0797 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.086976 160.1
[M+Na]+ 307.068918 170.5
[M-H]- 283.072424 163.8
[M+NH4]+ 302.113523 176.7
[M+K]+ 323.042858 165.8
[M+H-H2O]+ 267.076960 153.8
[M+HCOO]- 329.077901 180.0
[M+CH3COO]- 343.093551 206.0
[M+Na-2H]- 305.054366 164.8
[M]+ 284.07915142 159.5
[M]- 284.08024858 159.5
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