CID 98539

Brn 3002103

Structural Information

Molecular Formula
C18H11NO4
SMILES
C1=CC=C2C(=C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4N)O
InChI
InChI=1S/C18H11NO4/c19-11-7-3-6-10-12(11)18(23)14-13(17(10)22)15(20)8-4-1-2-5-9(8)16(14)21/h1-7,20-21H,19H2
InChIKey
GMFQZOJLRGORRD-UHFFFAOYSA-N
Compound name
1-amino-6,11-dihydroxytetracene-5,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.06882 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.07610 165.5
[M+Na]+ 328.05804 176.5
[M-H]- 304.06154 169.9
[M+NH4]+ 323.10264 182.2
[M+K]+ 344.03198 170.6
[M+H-H2O]+ 288.06608 158.5
[M+HCOO]- 350.06702 182.9
[M+CH3COO]- 364.08267 177.0
[M+Na-2H]- 326.04349 171.3
[M]+ 305.06827 165.2
[M]- 305.06937 165.2
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

No patent data available for this compound.